 Entering Gaussian System, Link 0=g16
 Input=04_BrClFmethane_STD_B3LYPDBJ-def2TZVPDr.in
 Output=04_BrClFmethane_STD_B3LYPDBJ-def2TZVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2TZVPD.gbs
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               5253.2344745              0.95310527769D-02
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            S    8   1.00
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               5885.6618668              0.93943844255D-02
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                194.57803492             0.29004470954
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                 58.840299883           -0.11547027448
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            S    1   1.00
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                197.93040142             0.20076506686D-01
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            D    1   1.00
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            -Sc     0
            S    8   1.00
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              28723.8503630              0.17890329946D-02
               6537.0116490              0.92990401140D-02
               1850.3097171              0.37739438011D-01
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                216.17324766             0.28814821470
                 83.712517880            0.40517543099
                 32.908707189            0.20566019623
            S    4   1.00
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                 65.128920139           -0.11570158142
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                224.09699732             0.19742967060D-01
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            -Ti     0
            S    8   1.00
             211575.6902500              0.23318151011D-03
              31714.9450580              0.18079690851D-02
               7217.5476543              0.93984311352D-02
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            S    4   1.00
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            -V     0
            S    8   1.00
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              34828.8411700              0.17888178962D-02
               7926.5448691              0.92992490131D-02
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                262.32219631             0.28963508811
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                 40.064784617            0.21113610858
            S    4   1.00
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                280.23075192             0.19643454466D-01
                 89.643627137            0.90796949190D-01
                 33.242411253            0.25650768222
                 13.144514452            0.40815393750
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              38131.7970540              0.18142601800D-02
               8675.2930607              0.94363925721D-02
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                286.90021489             0.29489696029
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                309.25311441             0.19544041017D-01
                 98.996273963            0.90651794553D-01
                 36.756916451            0.25699279154
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            -Mn     0
            S    8   1.00
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              41550.7698900              0.17707650375D-02
               9455.9700152              0.92077209994D-02
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                312.98306420             0.28824392499
                121.44454051             0.41041600847
                 47.922598829            0.21372375145
            S    4   1.00
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                342.06551197             0.19369286864D-01
                109.58400891             0.90236108988D-01
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              10262.5163170              0.91927083490D-02
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                339.87832894             0.28818881468
                131.94425588             0.41126612677
                 52.111494077            0.21518583573
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                101.92332739            -0.11683089050
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                  6.8840675801           0.53601640182
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                375.38006499             0.19253154755D-01
                120.31816501             0.90021836536D-01
                 44.788749031            0.25798172356
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            S    8   1.00
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              48839.6364530              0.17499397533D-02
              11114.9373070              0.91003134097D-02
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                368.02508816             0.28598731649
                142.91229205             0.40908312004
                 56.482649209            0.21500145739
            S    4   1.00
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                409.91750438             0.19382999967D-01
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            ****
            -Ni     0
            S    8   1.00
             351535.7293500              0.22529386884D-03
              52695.8092830              0.17468616223D-02
              11992.4682930              0.90849992136D-02
               3394.5776689              0.36940748447D-01
               1105.3594585              0.12032819950
                397.14677769             0.28596715057
                154.27542974             0.40983020196
                 61.018723780            0.21620642851
            S    4   1.00
                384.45559739            -0.24651279268D-01
                119.04879199            -0.11658505277
                 19.137012223            0.54864126676
                  8.1526718562           0.52640051122
            S    2   1.00
                 12.579408642           -0.22797884293
                  2.0870866081           0.70703738215
            S    1   1.00
                  0.86432568555          1.0000000
            S    1   1.00
                  0.13283169217          1.0000000
            S    1   1.00
                  0.46845327726D-01      1.0000000
            P    6   1.00
               1883.0907486              0.23748258443D-02
                445.95155320             0.19289457172D-01
                143.08430815             0.90718211507D-01
                 53.372920722            0.26181414117
                 21.321919357            0.42309149832
                  8.6643561994           0.24641686015
            P    3   1.00
                 34.144255211           -0.29677129163D-01
                  4.7122455921           0.55616824096
                  1.8709231845           0.96357766460
            P    1   1.00
                  0.70370016267          1.0000000
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.36887339850D-01      1.0000000
            D    4   1.00
                 74.591603465            0.12077454672D-01
                 21.590632752            0.74637262154D-01
                  7.6246142580           0.23236775502
                  2.8632206762           0.39042651680
            D    1   1.00
                  1.0311063388            .39509498921
            D    1   1.00
                  0.33060760691           .21138769167
            D    1   1.00
                  0.1060000              1.0000000
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    8   1.00
             377518.7992300              0.22811766128D-03
              56589.9843110              0.17688035931D-02
              12878.7117060              0.91993460227D-02
               3645.3752143              0.37411016434D-01
               1187.0072945              0.12189873737
                426.46421902             0.28983900714
                165.70660164             0.41531872174
                 65.598942707            0.21905799287
            S    4   1.00
                414.41265811            -0.24682525053D-01
                128.32056039            -0.11716827406
                 20.622089750            0.55301315941
                  8.7821226045           0.52242718609
            S    2   1.00
                 13.741372006           -0.22736061821
                  2.2431246833           0.71761210873
            S    1   1.00
                  0.89370549079          1.0000000
            S    1   1.00
                  0.10836699534          1.0000000
            S    1   1.00
                  0.38806178058D-01      1.0000000
            P    6   1.00
               2034.7596692              0.23524822298D-02
                481.90468106             0.19134070751D-01
                154.67482963             0.90171105278D-01
                 57.740576969            0.26063284735
                 23.099052811            0.42093485770
                  9.3882478591           0.24344615121
            P    3   1.00
                 37.596171210           -0.28991094530D-01
                  5.1240690810           0.54919083831
                  2.0119996085           0.93793330488
            P    1   1.00
                  0.73860686002          1.0000000
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.34015997020D-01      1.0000000
            D    4   1.00
                 74.129460637            0.14363216676D-01
                 21.359842587            0.86628177096D-01
                  7.4995240537           0.25631430541
                  2.7601394169           0.40374062368
            D    1   1.00
                  0.95362061236           .39427042447
            D    1   1.00
                  0.28420862520           .23091146816
            D    1   1.00
                  0.0850000              1.0000000
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    8   1.00
             405924.3102800              0.22442017483D-03
              60846.9557350              0.17402086626D-02
              13847.3430920              0.90513339565D-02
               3919.6158551              0.36817341445D-01
               1276.3594167              0.12004850256
                458.67254435             0.28576057621
                178.28725246             0.41087462062
                 70.612192837            0.21816962456
            S    4   1.00
                443.88077950            -0.24934274984D-01
                137.55875267            -0.11817955766
                 22.268083479            0.55367318468
                  9.5217310606           0.52628934936
            S    2   1.00
                 14.874114065           -0.22929955254
                  2.4647517612           0.71135484742
            S    1   1.00
                  1.0113272238           1.0000000
            S    1   1.00
                  0.14919852089          1.0000000
            S    1   1.00
                  0.51441872981D-01      1.0000000
            P    6   1.00
               2205.3508534              0.23356240448D-02
                522.35300699             0.19031022634D-01
                167.73055542             0.89955758675D-01
                 62.670045373            0.26113248631
                 25.109749456            0.42348448173
                 10.225142681            0.24618926885
            P    3   1.00
                 40.713442521           -0.30029667592D-01
                  5.6247090696           0.55575254864
                  2.2279949116           0.95581013442
            P    1   1.00
                  0.83354741691          1.0000000
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.0477690              1.0000000
            P    1   1.00
                  0.21234841485D-01      1.0000000
            D    4   1.00
                 88.554315311            0.12728170015D-01
                 25.721525557            0.79394499843D-01
                  9.1278367624           0.24491506805
                  3.4312364064           0.40390526479
            D    1   1.00
                  1.2308920645            .40158491145
            D    1   1.00
                  0.39031845112           .21579805034
            D    1   1.00
                  0.1240000              1.0000000
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    8   1.00
             435548.6625400              0.23646329650D-03
              65289.5890310              0.18335271776D-02
              14858.7842560              0.95371863081D-02
               4205.9734729              0.38803412468D-01
               1369.6416431              0.12661604848
                492.30348905             0.30175310292
                191.41923233             0.43543934218
                 75.840558665            0.23282363780
            S    4   1.00
                474.30810613            -0.26743707958D-01
                147.10297560            -0.12654657542
                 23.982599435            0.58840346839
                 10.298230094            0.56324271589
            S    2   1.00
                 16.050381430           -0.24516439508
                  2.6988468784           0.74578049593
            S    1   1.00
                  1.1428588736           1.0000000
            S    1   1.00
                  0.20217652251          1.0000000
            S    1   1.00
                  0.71980152032D-01      1.0000000
            S    1   1.00
                  0.30102057284D-01      1.0000000
            P    6   1.00
               2432.0171070              0.22434065928D-02
                576.12049582             0.18342265336D-01
                185.11584354             0.87279697167D-01
                 69.246572556            0.25684868351
                 27.818107777            0.42398378107
                 11.420229938            0.25701340043
            P    3   1.00
                 42.819661530           -0.19326519119D-01
                  6.3885901000           0.31571386917
                  2.6698993326           0.57617792822
            P    1   1.00
                  1.0781783834           1.0000000
            P    1   1.00
                  0.22796559371          1.0000000
            P    1   1.00
                  0.62836234833D-01      1.0000000
            D    5   1.00
                103.92331829             0.11464613652D-01
                 30.371094389            0.73625747383D-01
                 10.872078097            0.23505107382
                  4.1549137954           0.40318563513
                  1.5345659145           0.40824748152
            D    1   1.00
                  0.51114263830           .20502439263
            D    1   1.00
                  0.30622000             1.0000000
            D    1   1.00
                  0.11391309             1.0000000
            D    1   1.00
                  0.42871691594D-01      1.0000000
            F    1   1.00
                  0.30996095             1.0000000
            ****
            -Ge     0
            S    8   1.00
             466115.0059200              0.22487264660D-03
              69875.4207620              0.17435426729D-02
              15903.2767160              0.90691482206D-02
               4501.8233453              0.36906174685D-01
               1466.0570924              0.12050167907
                527.07841728             0.28748641703
                205.00395074             0.41622321885
                 81.251596065            0.22397845695
            S    4   1.00
                505.74661282            -0.25184609291D-01
                156.96593744            -0.11898929721
                 25.761448176            0.54930135870
                 11.106654687            0.52939309129
            S    2   1.00
                 17.272059104           -0.22854595728
                  2.9438289048           0.68377930317
            S    1   1.00
                  1.2839164916           1.0000000
            S    1   1.00
                  0.25873337445          1.0000000
            S    1   1.00
                  0.93524913177D-01      1.0000000
            S    1   1.00
                  0.41984351140D-01      1.0000000
            P    6   1.00
               2633.9346241              0.22143925310D-02
                624.00161628             0.18140899141D-01
                200.58528404             0.86632184922D-01
                 75.097081525            0.25649020592
                 30.214388474            0.42658611262
                 12.440087567            0.26200527313
            P    3   1.00
                 45.981316002           -0.20321767678D-01
                  6.9945654416           0.32013744527
                  2.9686001327           0.59051014555
            P    1   1.00
                  1.2320988495           1.0000000
            P    1   1.00
                  0.28981614974          1.0000000
            P    1   1.00
                  0.85564606447D-01      1.0000000
            D    5   1.00
                119.44887581             0.10586544521D-01
                 35.062915293            0.69601280945D-01
                 12.636924529            0.22807035287
                  4.8888672922           0.40301067220
                  1.8453195392           0.41304847015
            D    1   1.00
                  0.63571158892           .19639209740
            D    1   1.00
                  0.35492132             1.0000000
            D    1   1.00
                  0.13155709             1.0000000
            D    1   1.00
                  0.56134940012D-01      1.0000000
            F    1   1.00
                  0.36210645             1.0000000
            ****
            -As     0
            S    8   1.00
             498032.4215800              0.22740196900D-03
              74656.8687430              0.17632816413D-02
              16990.9600040              0.91728040381D-02
               4809.6200321              0.37337829344D-01
               1566.2887055              0.12199536117
                563.21360499             0.29137475324
                219.11179978             0.42326351479
                 86.866061030            0.22921464278
            S    4   1.00
                538.19512479            -0.25254197297D-01
                167.14850224            -0.11915461115
                 27.605517159            0.54628495980
                 11.947858521            0.53001520976
            S    2   1.00
                 18.538023133           -0.23479188136
                  3.2018985739           0.69167053428
            S    1   1.00
                  1.4356522077           1.0000000
            S    1   1.00
                  0.31837805200          1.0000000
            S    1   1.00
                  0.11622632186          1.0000000
            S    1   1.00
                  0.50450200093D-01      1.0000000
            P    6   1.00
               2678.9421546              0.23318955287D-02
                634.61765840             0.19042149977D-01
                203.93967606             0.90229744913D-01
                 76.323890369            0.26169037693
                 30.664124943            0.41857168155
                 12.505056732            0.23447830190
            P    4   1.00
                 49.256229549           -0.21235539870D-01
                  7.7274891466           0.30470206668
                  3.5410493476           0.52888373107
                  1.6985585501           0.37272250955
            P    1   1.00
                  0.76848071044          1.0000000
            P    1   1.00
                  0.30050823260          1.0000000
            P    1   1.00
                  0.98190639437D-01      1.0000000
            D    5   1.00
                135.33289305             0.99291144106D-02
                 39.860212744            0.66568843496D-01
                 14.446428359            0.22275768307
                  5.6432900356           0.40309224382
                  2.1668188623           0.41671667946
            D    1   1.00
                  0.76514970569           .18935502288
            D    1   1.00
                  0.42434653             1.0000000
            D    1   1.00
                  0.16331527             1.0000000
            D    1   1.00
                  0.67575334568D-01      1.0000000
            F    1   1.00
                  0.43271941             1.0000000
            ****
            -Se     0
            S    8   1.00
             531071.6669600              0.24108973168D-03
              79603.0441170              0.18696431441D-02
              18115.8442400              0.97271616536D-02
               5127.8923194              0.39604793031D-01
               1669.9130839              0.12948855136
                600.57534527             0.30959437289
                233.70021247             0.45115769216
                 92.672443932            0.24579189033
            S    4   1.00
                571.57513675            -0.26895707881D-01
                177.63686375            -0.12670989353
                 29.517767052            0.57699001719
                 12.824399795            0.56369075408
            S    2   1.00
                 19.848235841           -0.25132415534
                  3.4744018486           0.72905416980
            S    1   1.00
                  1.5988910849           1.0000000
            S    1   1.00
                  0.38333469387          1.0000000
            S    1   1.00
                  0.14049742459          1.0000000
            S    1   1.00
                  0.45053485505D-01      1.0000000
            P    6   1.00
               2815.3500566              0.25569026854D-02
                666.92558298             0.20874026901D-01
                214.34213188             0.98772096250D-01
                 80.246687942            0.28471821221
                 32.251081288            0.45003584934
                 13.106432562            0.24416091055
            P    4   1.00
                 53.366108516           -0.21558456273D-01
                  8.1827777195           0.32662310638
                  3.6239945672           0.57740499319
                  1.6341591401           0.34301320826
            P    1   1.00
                  0.58418320228          1.0000000
            P    1   1.00
                  0.23966269279          1.0000000
            P    1   1.00
                  0.88785134803D-01      1.0000000
            P    1   1.00
                  0.26632920997D-01      1.0000000
            D    5   1.00
                151.82910279             0.93970276988D-02
                 44.839992523            0.64086503991D-01
                 16.328999510            0.21834238004
                  6.4305057612           0.40314789649
                  2.5048025169           0.41966491490
            D    1   1.00
                  0.90271148434           .18366663432
            D    1   1.00
                  0.47683613             1.0000000
            D    1   1.00
                  0.18535160             1.0000000
            D    1   1.00
                  0.64254758023D-01      1.0000000
            F    1   1.00
                  0.48866905             1.0000000
            ****
            -Br     0
            S    8   1.00
             565073.2525600              0.23660314690D-03
              84701.7231790              0.18348332508D-02
              19276.2719000              0.95465849860D-02
               5456.4284576              0.38877142153D-01
               1776.9503500              0.12718314231
                639.19398276             0.30437662191
                248.78823961             0.44490940497
                 98.678305494            0.24381643058
            S    4   1.00
                606.07824568            -0.26527158709D-01
                188.45598484            -0.12484584809
                 31.497144506            0.56468683559
                 13.736008320            0.55555268564
            S    2   1.00
                 21.203212766           -0.24940920493
                  3.7616420178           0.71213119743
            S    1   1.00
                  1.7735933962           1.0000000
            S    1   1.00
                  0.45197413664          1.0000000
            S    1   1.00
                  0.16613377099          1.0000000
            S    1   1.00
                  0.52769579657D-01      1.0000000
            P    6   1.00
               3019.6955723              0.24971049798D-02
                715.35481126             0.20419267596D-01
                229.98328751             0.96897148309D-01
                 86.167844615            0.28053901252
                 34.667870802            0.44606390473
                 14.113870307            0.24410073923
            P    4   1.00
                 57.085653082           -0.21855950710D-01
                  8.8193845840           0.32707075320
                  3.9340302872           0.57855229520
                  1.7998830384           0.33570987698
            P    1   1.00
                  0.66899410512          1.0000000
            P    1   1.00
                  0.27136238231          1.0000000
            P    1   1.00
                  0.10083790243          1.0000000
            P    1   1.00
                  0.29005224647D-01      1.0000000
            D    5   1.00
                168.85370257             0.89663981988D-02
                 49.977949919            0.62062059316D-01
                 18.274913338            0.21474732384
                  7.2455694631           0.40335336746
                  2.8562315025           0.42208813080
            D    1   1.00
                  1.0459621144            .17874813267
            D    1   1.00
                  0.56865655             1.0000000
            D    1   1.00
                  0.22031490             1.0000000
            D    1   1.00
                  0.75865567476D-01      1.0000000
            F    1   1.00
                  0.57083312             1.0000000
            ****
            -Kr     0
            S    8   1.00
             600250.9757500              0.23740610399D-03
              89976.6507810              0.18410240539D-02
              20476.8142250              0.95795580699D-02
               5796.1554078              0.39020650488D-01
               1887.5913196              0.12772645628
                679.11458519             0.30596521300
                264.38244511             0.44857474437
                104.88368574             0.24722957327
            S    4   1.00
                641.47370764            -0.26745279805D-01
                199.57524820            -0.12571122567
                 33.545462954            0.56483736390
                 14.683955144            0.55972765539
            S    2   1.00
                 22.603101860           -0.25298771800
                  4.0650682991           0.70992159965
            S    1   1.00
                  1.9611027060           1.0000000
            S    1   1.00
                  0.52465147979          1.0000000
            S    1   1.00
                  0.19332399511          1.0000000
            S    1   1.00
                  0.61730246979D-01      1.0000000
            P    6   1.00
               3232.9589614              0.24885607974D-02
                765.96442694             0.20379007428D-01
                246.33940810             0.96977188584D-01
                 92.365283041            0.28199960954
                 37.199509551            0.45116254358
                 15.172166534            0.24917131496
            P    4   1.00
                 60.931321698           -0.22173603519D-01
                  9.4792600646           0.32838462778
                  4.2564686326           0.58124997120
                  1.9729313762           0.32863541783
            P    1   1.00
                  0.76337108716          1.0000000
            P    1   1.00
                  0.30943625526          1.0000000
            P    1   1.00
                  0.11569704458          1.0000000
            P    1   1.00
                  0.32364688085D-01      1.0000000
            D    5   1.00
                186.41760904             0.86120284601D-02
                 55.274124345            0.60394406304D-01
                 20.283219120            0.21181331869
                  8.0884536976           0.40366293413
                  3.2214033853           0.42402860686
            D    1   1.00
                  1.1952170102            .17441742274
            D    1   1.00
                  0.6480000              1.0000000
            D    1   1.00
                  0.2510000              1.0000000
            D    1   1.00
                  0.87900125404D-01      1.0000000
            F    1   1.00
                  0.6280000              1.0000000
            ****
            -Rb     0
            S    2   1.00
                  7.4744618040           0.26997866363
                  6.7296180594          -0.42629251814
            S    1   1.00
                  2.7816640004           1.0000000
            S    1   1.00
                  0.53452175148          1.0000000
            S    1   1.00
                  0.22368793034          1.0000000
            S    1   1.00
                  0.32410407052D-01      1.0000000
            S    1   1.00
                  0.14171047424D-01      1.0000000
            P    4   1.00
                  5.6720643194           0.48114224135D-01
                  3.3320183956          -0.18485131426
                  0.80150054910          0.42811864954
                  0.36302220227          0.58673165411
            P    1   1.00
                  0.15733924392          1.0000000
            P    1   1.00
                  0.40000000000D-01      1.0000000
            P    1   1.00
                  0.16000000000D-01      1.0000000
            D    1   1.00
                  0.25907866956          0.76806746340D-01
            D    1   1.00
                  0.42507438045D-01      0.37846160487
            D    1   1.00
                  0.11909276840D-01      1.0000000
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                 33.404240134            0.68377675770D-02
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
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                  6.2390917199           0.38470524721
            S    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
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            D    1   1.00
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            ****
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            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
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            S    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    2   1.00
                  6.0000000000          -0.56587174838
                  4.9822082226           0.97514768535
            S    1   1.00
                  2.1451943914           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  4.9017938336           0.67755479813
                  2.6142685062          -0.46010554954
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            P    1   1.00
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            D    1   1.00
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                 10.00                   0.073
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44174952534
                  4.2709780000           0.85812466843
            S    1   1.00
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            S    1   1.00
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                  3.6808191615           0.14675038550
                  2.3265462081          -0.35581819167
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            -Hf     0
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                 16.000000000           -3.5064630782
                 14.400000000            4.3082581000
                 10.304504667           -0.91045809742
            S    1   1.00
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                  4.9203967161          -0.28227924657
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            P    1   1.00
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            D    1   1.00
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            ****
            -Ta     0
            S    4   1.00
                 24.473650944            0.20590322488
                 18.721372549           -0.74670795514
                 11.500000000            3.4071363897
                 10.350000000           -2.8175487609
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 12.008186536            0.10336287365
                  5.0278760583          -0.28526521696
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    3   1.00
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            D    1   1.00
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            -W     0
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                 30.000000000            0.32246483410
                 27.000000000           -0.46692257214
                 13.078045684            0.42699563776
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                 12.431973432            0.10905673845
                  5.1586217658          -0.29399955020
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  5.9026268603          -0.17667540011
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            D    1   1.00
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            D    1   1.00
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            ****
            -Re     0
            S    3   1.00
                 30.000000000            0.31780717811
                 27.000000000           -0.46492321332
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 12.318606250            0.99711498502D-01
                  5.3719234505          -0.29289398145
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  6.0949443610          -0.17722258734
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            D    1   1.00
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            D    1   1.00
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            ****
            -Os     0
            S    3   1.00
                 30.000000000            0.32213004804
                 27.000000000           -0.47922918137
                 13.524730005            0.47465946837
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 14.000000000           -0.23201520402
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                  1.4139502215          -0.54253238176
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  6.3060397430          -0.16444229630
                  1.4890109110           0.55154541033
                  0.67315390607          0.88461370291
            D    1   1.00
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            D    1   1.00
                  0.11058012051          1.0000000
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                  0.5506500              1.0000000
            ****
            -Ir     0
            S    3   1.00
                 30.000000000            0.30797903228
                 27.000000000           -0.46726361781
                 13.961973911            0.47161003146
            S    1   1.00
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            P    4   1.00
                 15.902664143           -0.16290720099
                 14.415830698            0.23483212987
                  5.7597608991          -0.30305337176
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  6.5898192302          -0.17326965173
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                  0.71827834905          0.85273641436
            D    1   1.00
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            D    1   1.00
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            ****
            -Pt     0
            S    3   1.00
                 30.000000000            0.27148263900
                 27.000000000           -0.42226758774
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 14.000000000            0.23853412989
                  6.1161212339          -0.31041379733
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  7.4207226520          -0.90271847072D-01
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            D    1   1.00
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            D    1   1.00
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            ****
            -Au     0
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                 27.000000000           -0.33267893394
                 14.746824331            0.38302817958
            S    1   1.00
                  5.6017248938           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  1.6595601681          -0.57279670446
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  7.2698886937          -0.93690906606D-01
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                  0.79960541055          0.46795192483
            D    1   1.00
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            D    1   1.00
                  0.12445133105          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    3   1.00
                 48.013786990            0.58008164912D-02
                 21.239875095           -0.17328165235
                 15.876100879            0.36416685034
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                 15.252594855            0.15327318234
                  6.4404715169          -0.30274955249
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            P    1   1.00
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            P    1   1.00
                  0.41304540122          1.0000000
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  7.5920661493          -0.94774230522D-01
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                  0.88641552102          0.45567078406
            D    1   1.00
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            D    1   1.00
                  0.14880740086          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    4   1.00
                729.65038145             0.13672829828D-03
                 46.665548707            0.60443439951D-02
                 20.970448726           -0.20022066697
                 14.149588677            0.40801678488
            S    2   1.00
                 20.730134285           -0.71861135918D-01
                  6.1527631309           0.98057508445
            S    1   1.00
                  1.5757324480           1.0000000
            S    1   1.00
                  0.74980169458          1.0000000
            S    1   1.00
                  0.19536816194          1.0000000
            S    1   1.00
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            S    1   1.00
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            P    3   1.00
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                 14.814929544           -0.72859235151
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            P    3   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  9.7368866667           0.24456562496D-01
                  6.9256201679          -0.69914775031D-01
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                  1.0836187110           0.29731629705
                  0.52356298209          0.23728708102
            D    1   1.00
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            D    1   1.00
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            D    1   1.00
                  0.30807799761D-01      1.0000000
            F    1   1.00
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            F    1   1.00
                  0.2843500              1.0000000
            ****
            -Pb     0
            S    4   1.00
                591.61124370             0.22126521076D-03
                 46.757232559            0.56961959130D-02
                 20.746462696           -0.21374063831
                 14.610796419            0.40502620616
            S    2   1.00
                 20.222637612           -0.83541883299D-01
                  6.4767324865           0.97910892388
            S    1   1.00
                  1.6600600927           1.0000000
            S    1   1.00
                  0.80431655001          1.0000000
            S    1   1.00
                  0.22627039020          1.0000000
            S    1   1.00
                  0.84014530665D-01      1.0000000
            S    1   1.00
                  0.28533321717D-01      1.0000000
            P    3   1.00
                 15.189102118            0.61952303583
                 14.693144415           -0.72498497086
                  6.8705890048           0.37680007984
            P    3   1.00
                  2.2021426123           0.40196284806
                  1.2209125119           0.46058131862
                  0.63367559815          0.19367655397
            P    1   1.00
                  0.28202837058          1.0000000
            P    1   1.00
                  0.11333375666          1.0000000
            P    1   1.00
                  0.43948707430D-01      1.0000000
            D    6   1.00
                 61.315369628            0.33870800787D-03
                 12.372195840            0.13788683942D-01
                  6.9254944983          -0.75979608103D-01
                  2.3319539939           0.28113784298
                  1.2108730003           0.44474512269
                  0.60090478506          0.35326874351
            D    1   1.00
                  0.28135869813          1.0000000
            D    1   1.00
                  0.11500000000          1.0000000
            D    1   1.00
                  0.40071342706D-01      1.0000000
            F    1   1.00
                  1.0000000              1.0000000
            F    1   1.00
                  0.2896200              1.0000000
            ****
            -Bi     0
            S    4   1.00
                716.41435310             0.31254307133D-03
                 83.806059047            0.17624768946D-02
                 21.116962853           -0.21910983437
                 15.491448187            0.40411224931
            S    2   1.00
                 23.239855029           -0.68255758685D-01
                  6.6474255000           0.97888046471
            S    1   1.00
                  1.7617744005           1.0000000
            S    1   1.00
                  0.87252866000          1.0000000
            S    1   1.00
                  0.25618895997          1.0000000
            S    1   1.00
                  0.97073913006D-01      1.0000000
            S    1   1.00
                  0.35808906242D-01      1.0000000
            P    3   1.00
                 15.249644669            0.74560356000
                 14.846176053           -0.85578637338
                  7.0636826784           0.40149159592
            P    3   1.00
                  2.5881255616           0.35542729633
                  1.5020208499           0.63976991890
                  0.76732724388          0.32332773839
            P    1   1.00
                  0.32797648982          1.0000000
            P    1   1.00
                  0.13820335991          1.0000000
            P    1   1.00
                  0.55137330969D-01      1.0000000
            D    6   1.00
                 66.404481948            0.38102878348D-03
                 13.858426961            0.10746152442D-01
                  7.0654519000          -0.71947646845D-01
                  2.5252144035           0.26195974989
                  1.3419585000           0.42594750000
                  0.68340941000          0.33680325627
            D    1   1.00
                  0.32934755420          1.0000000
            D    1   1.00
                  0.14000000000          1.0000000
            D    1   1.00
                  0.50194378647D-01      1.0000000
            F    1   1.00
                  1.0500000              1.0000000
            F    1   1.00
                  0.3127100              1.0000000
            ****
            -Po     0
            S    5   1.00
               6744.8211765              0.76891556363D-04
                744.41892532             0.71284827354D-03
                131.04029309             0.22057583958D-02
                 19.662021030           -0.64364713744
                 16.623025609            0.91997150546
            S    2   1.00
                 23.094002965           -0.70404410177D-01
                  6.9707398381           0.97886540086
            S    1   1.00
                  1.8497377593           1.0000000
            S    1   1.00
                  0.93082999263          1.0000000
            S    1   1.00
                  0.28673026462          1.0000000
            S    1   1.00
                  0.10979212169          1.0000000
            S    1   1.00
                  0.35812540416D-01      1.0000000
            P    4   1.00
                  8.9027395407          -0.13798250445
                  5.7414667465           0.26304005326
                  1.9896329823           0.66225846161
                  0.94703210822          0.39547051892
            P    3   1.00
                253.99024497             0.83876362116D-04
                  9.8712718748           0.24572710458
                  7.4489893496          -0.44297763661
            P    1   1.00
                  0.37071136280          1.0000000
            P    1   1.00
                  0.15554706086          1.0000000
            P    1   1.00
                  0.61173720818D-01      1.0000000
            P    1   1.00
                  0.19437729576D-01      1.0000000
            D    6   1.00
                 67.943077046            0.48919125336D-03
                 14.914219894            0.10157120776D-01
                  7.2973948305          -0.69943263066D-01
                  2.6826784400           0.26244730680
                  1.4374143009           0.42702361494
                  0.73903797417          0.32502435477
            D    1   1.00
                  0.35838153281          1.0000000
            D    1   1.00
                  0.15000000000          1.0000000
            D    1   1.00
                  0.51710661379D-01      1.0000000
            F    1   1.00
                  1.4000000              1.0000000
            F    1   1.00
                  0.3327500              1.0000000
            ****
            -At     0
            S    5   1.00
               3635.9809356              0.12571463494D-03
                537.64129823             0.75950883820D-03
                 91.600030756            0.25790982348D-02
                 20.200005804           -0.54772187699
                 16.893873824            0.78417507786
            S    2   1.00
                 18.177216938           -0.13023627002
                  7.2317852082           0.96473566747
            S    1   1.00
                  1.9496199739           1.0000000
            S    1   1.00
                  0.99226695236          1.0000000
            S    1   1.00
                  0.31957178881          1.0000000
            S    1   1.00
                  0.12342539809          1.0000000
            S    1   1.00
                  0.40936378211D-01      1.0000000
            P    4   1.00
                  8.9484156471          -0.15012953475
                  5.9694592464           0.27048141788
                  2.1099088209           0.63671217722
                  1.0236370373           0.38057472615
            P    3   1.00
                216.81518928             0.16975297090D-03
                 10.592298115            0.22683755793
                  7.4596585430          -0.47336848377
            P    1   1.00
                  0.42186356565          1.0000000
            P    1   1.00
                  0.17757132268          1.0000000
            P    1   1.00
                  0.69670886939D-01      1.0000000
            P    1   1.00
                  0.20397906578D-01      1.0000000
            D    6   1.00
                 70.619633393            0.59974022914D-03
                 16.212096478            0.93445952839D-02
                  7.3607401479          -0.70748413897D-01
                  2.9309052592           0.24037366077
                  1.6085414823           0.41841372624
                  0.84194162715          0.32832651044
            D    1   1.00
                  0.41335677957          1.0000000
            D    1   1.00
                  0.17400000000          1.0000000
            D    1   1.00
                  0.59789898654D-01      1.0000000
            F    1   1.00
                  1.8000000              1.0000000
            F    1   1.00
                  0.3740800              1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2TZVPD/04_R-BrClFmethane_STD/Gau-61462.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2TZVPD/04_R-BrClFmethane_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     61465.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                22-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=04_BrClFmethane_STD_B3LYPDBJ-def2TZVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul 22 18:03:49 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "04_BrClFmethane_STD_B3LYPDBJ-def2TZVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.580263000000      0.462073000000      0.411344000000
  Cl                                                1.835659000000     -0.687806000000     -0.067556000000
  Br                                               -1.211307000000     -0.184780000000     -0.028129000000
  F                                                 0.787779000000      1.643768000000     -0.202445000000
  H                                                 0.617958000000      0.593649000000      1.486907000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1
 NAtoms=      5 NQM=        5 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5
 IAtWgt=          12          35          79          19           1
 AtmWgt=  12.0000000  34.9688527  78.9183361  18.9984033   1.0078250
 NucSpn=           0           3           3           1           1
 AtZEff=   3.6000000  14.2400000  24.5000000   6.7500000   1.0000000
 NQMom=    0.0000000  -8.1650000  31.3000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.8218740   2.1063990   2.6288670   2.7928460
 AtZNuc=   6.0000000  17.0000000  35.0000000   9.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Jul 22 18:03:49 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.580263    0.462073    0.411344
      2         17           0        1.835659   -0.687806   -0.067556
      3         35           0       -1.211307   -0.184780   -0.028129
      4          9           0        0.787779    1.643768   -0.202445
      5          1           0        0.617958    0.593649    1.486907
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  Cl   1.768498   0.000000
     3  Br   1.954809   3.088461   0.000000
     4  F    1.347666   2.559782   2.714833   0.000000
     5  H    1.084237   2.353992   2.499499   1.996372   0.000000
 Stoichiometry    CHBrClF
 Framework group  C1[X(CHBrClF)]
 Deg. of freedom     9
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.85D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.580263    0.462073    0.411344
      2         17           0        1.835659   -0.687806   -0.067556
      3         35           0       -1.211307   -0.184780   -0.028129
      4          9           0        0.787779    1.643768   -0.202445
      5          1           0        0.617958    0.593649    1.486907
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           6.4224140           1.9855076           1.5655850
 Leave Link  202 at Thu Jul 22 18:03:49 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       5
 S 3 1.00
     Exponent=  3.4061341000D+01 Coefficients=  6.0251978000D-03
     Exponent=  5.1235746000D+00 Coefficients=  4.5021094000D-02
     Exponent=  1.1646626000D+00 Coefficients=  2.0189726000D-01
 S 1 1.00
     Exponent=  3.2723041000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.0307241000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  9.5774129632D-02 Coefficients=  1.0000000000D+00
 ****
 Centers:       1
 S 6 1.00
     Exponent=  1.3575349682D+04 Coefficients=  2.2245814352D-04
     Exponent=  2.0352333680D+03 Coefficients=  1.7232738252D-03
     Exponent=  4.6322562359D+02 Coefficients=  8.9255715314D-03
     Exponent=  1.3120019598D+02 Coefficients=  3.5727984502D-02
     Exponent=  4.2853015891D+01 Coefficients=  1.1076259931D-01
     Exponent=  1.5584185766D+01 Coefficients=  2.4295627626D-01
 S 2 1.00
     Exponent=  6.2067138508D+00 Coefficients=  4.1440263448D-01
     Exponent=  2.5764896527D+00 Coefficients=  2.3744968655D-01
 S 1 1.00
     Exponent=  5.7696339419D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.2972831358D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.5164440028D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.8475401370D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  3.4697232244D+01 Coefficients=  5.3333657805D-03
     Exponent=  7.9582622826D+00 Coefficients=  3.5864109092D-02
     Exponent=  2.3780826883D+00 Coefficients=  1.4215873329D-01
     Exponent=  8.1433208183D-01 Coefficients=  3.4270471845D-01
 P 1 1.00
     Exponent=  2.8887547253D-01 Coefficients=  4.6445822433D-01
 P 1 1.00
     Exponent=  1.0056823671D-01 Coefficients=  2.4955789874D-01
 D 1 1.00
     Exponent=  1.0970000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.1800000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  9.0985336424D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  7.6100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 6 1.00
     Exponent=  3.5479100441D+04 Coefficients=  2.1545014888D-04
     Exponent=  5.3184728983D+03 Coefficients=  1.6700686527D-03
     Exponent=  1.2104810975D+03 Coefficients=  8.6733211476D-03
     Exponent=  3.4285518140D+02 Coefficients=  3.5049933175D-02
     Exponent=  1.1201943181D+02 Coefficients=  1.1165320133D-01
     Exponent=  4.0714740248D+01 Coefficients=  2.5988506647D-01
 S 2 1.00
     Exponent=  1.6039678111D+01 Coefficients=  3.9422966880D-01
     Exponent=  6.5038186740D+00 Coefficients=  2.4998238551D-01
 S 1 1.00
     Exponent=  1.5440477509D+00 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1223452862D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.4027979698D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.0918446478D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  8.0233900483D+01 Coefficients=  6.3685999134D-03
     Exponent=  1.8594010743D+01 Coefficients=  4.4303143530D-02
     Exponent=  5.6867902653D+00 Coefficients=  1.6867248708D-01
     Exponent=  1.9511006294D+00 Coefficients=  3.6166346255D-01
 P 1 1.00
     Exponent=  6.6970211298D-01 Coefficients=  4.4202901491D-01
 P 1 1.00
     Exponent=  2.1651300410D-01 Coefficients=  2.4319875730D-01
 P 1 1.00
     Exponent=  5.9613282472D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.1070000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.5500000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.8608388111D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  1.9170000000D+00 Coefficients=  1.0000000000D+00
 ****
 Centers:       2
 S 7 1.00
     Exponent=  6.9507990945D+04 Coefficients=  5.4314897497D-04
     Exponent=  1.0426156880D+04 Coefficients=  4.1990463961D-03
     Exponent=  2.3732334061D+03 Coefficients=  2.1592141679D-02
     Exponent=  6.7156420071D+02 Coefficients=  8.4598850094D-02
     Exponent=  2.1841999790D+02 Coefficients=  2.4757249724D-01
     Exponent=  7.7572249714D+01 Coefficients=  4.7016930228D-01
     Exponent=  2.8888815277D+01 Coefficients=  3.7436370716D-01
 S 3 1.00
     Exponent=  1.2710527185D+02 Coefficients=  2.5182166603D-02
     Exponent=  3.9339582961D+01 Coefficients=  1.0786112456D-01
     Exponent=  7.6740679989D+00 Coefficients= -2.7408821574D-01
 S 2 1.00
     Exponent=  3.8745627630D+00 Coefficients=  1.3213875014D+00
     Exponent=  1.8385832573D+00 Coefficients=  6.8636955368D-01
 S 1 1.00
     Exponent=  5.0229057542D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.7962723420D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1133095854D-02 Coefficients=  1.0000000000D+00
 P 5 1.00
     Exponent=  6.6650423284D+02 Coefficients=  2.3632663836D-03
     Exponent=  1.5764241690D+02 Coefficients=  1.8879300374D-02
     Exponent=  5.0262520978D+01 Coefficients=  8.7206341273D-02
     Exponent=  1.8536078105D+01 Coefficients=  2.5285612970D-01
     Exponent=  7.2940532777D+00 Coefficients=  4.3507154820D-01
 P 1 1.00
     Exponent=  2.9433248995D+00 Coefficients=  3.5026513165D-01
 P 1 1.00
     Exponent=  1.0404970818D+00 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  3.8456415080D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.3069642732D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  3.5381580722D-02 Coefficients=  1.0000000000D+00
 D 2 1.00
     Exponent=  4.6100000000D+00 Coefficients=  2.0000000000D-01
     Exponent=  1.0110000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3900000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  9.9601358790D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  7.0600000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3
 S 8 1.00
     Exponent=  5.6507325256D+05 Coefficients=  2.3660314690D-04
     Exponent=  8.4701723179D+04 Coefficients=  1.8348332508D-03
     Exponent=  1.9276271900D+04 Coefficients=  9.5465849860D-03
     Exponent=  5.4564284576D+03 Coefficients=  3.8877142153D-02
     Exponent=  1.7769503500D+03 Coefficients=  1.2718314231D-01
     Exponent=  6.3919398276D+02 Coefficients=  3.0437662191D-01
     Exponent=  2.4878823961D+02 Coefficients=  4.4490940497D-01
     Exponent=  9.8678305494D+01 Coefficients=  2.4381643058D-01
 S 4 1.00
     Exponent=  6.0607824568D+02 Coefficients= -2.6527158709D-02
     Exponent=  1.8845598484D+02 Coefficients= -1.2484584809D-01
     Exponent=  3.1497144506D+01 Coefficients=  5.6468683559D-01
     Exponent=  1.3736008320D+01 Coefficients=  5.5555268564D-01
 S 2 1.00
     Exponent=  2.1203212766D+01 Coefficients= -2.4940920493D-01
     Exponent=  3.7616420178D+00 Coefficients=  7.1213119743D-01
 S 1 1.00
     Exponent=  1.7735933962D+00 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.5197413664D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.6613377099D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  5.2769579657D-02 Coefficients=  1.0000000000D+00
 P 6 1.00
     Exponent=  3.0196955723D+03 Coefficients=  2.4971049798D-03
     Exponent=  7.1535481126D+02 Coefficients=  2.0419267596D-02
     Exponent=  2.2998328751D+02 Coefficients=  9.6897148309D-02
     Exponent=  8.6167844615D+01 Coefficients=  2.8053901252D-01
     Exponent=  3.4667870802D+01 Coefficients=  4.4606390473D-01
     Exponent=  1.4113870307D+01 Coefficients=  2.4410073923D-01
 P 4 1.00
     Exponent=  5.7085653082D+01 Coefficients= -2.1855950710D-02
     Exponent=  8.8193845840D+00 Coefficients=  3.2707075320D-01
     Exponent=  3.9340302872D+00 Coefficients=  5.7855229520D-01
     Exponent=  1.7998830384D+00 Coefficients=  3.3570987698D-01
 P 1 1.00
     Exponent=  6.6899410512D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  2.7136238231D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.0083790243D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  2.9005224647D-02 Coefficients=  1.0000000000D+00
 D 5 1.00
     Exponent=  1.6885370257D+02 Coefficients=  8.9663981988D-03
     Exponent=  4.9977949919D+01 Coefficients=  6.2062059316D-02
     Exponent=  1.8274913338D+01 Coefficients=  2.1474732384D-01
     Exponent=  7.2455694631D+00 Coefficients=  4.0335336746D-01
     Exponent=  2.8562315025D+00 Coefficients=  4.2208813080D-01
 D 1 1.00
     Exponent=  1.0459621144D+00 Coefficients=  1.7874813267D-01
 D 1 1.00
     Exponent=  5.6865655000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.2031490000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  7.5865567476D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  5.7083312000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   215 symmetry adapted cartesian basis functions of A   symmetry.
 There are   189 symmetry adapted basis functions of A   symmetry.
   189 basis functions,   333 primitive gaussians,   215 cartesian basis functions
    34 alpha electrons       34 beta electrons
       nuclear repulsion energy       320.0949798637 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=    5 NActive=    5 NUniq=    5 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0076668790 Hartrees.
 Nuclear repulsion after empirical dispersion term =      320.0873129847 Hartrees.
 Leave Link  301 at Thu Jul 22 18:03:50 2021, MaxMem=  5637144576 cpu:               5.3 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   189 RedAO= T EigKep=  4.88D-05  NBF=   189
 NBsUse=   189 1.00D-06 EigRej= -1.00D+00 NBFU=   189
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   214   214   214   214   214 MxSgAt=     5 MxSgA2=     5.
 Leave Link  302 at Thu Jul 22 18:03:51 2021, MaxMem=  5637144576 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul 22 18:03:51 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "04_BrClFmethane_STD_B3LYPDBJ-def2TZVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul 22 18:03:51 2021, MaxMem=  5637144576 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Keep R1 ints in memory in canonical form, NReq=169532611.
 FoFCou: FMM=F IPFlag=           0 FMFlag=           0 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       600 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=  17955 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Two-electron integral symmetry not used.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5475848543 LenY=  5475801877
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.

 Cycle   1  Pass 1  IDiag  1:
 E= -3173.01672629772    
 DIIS: error= 7.26D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -3173.01672629772     IErMin= 1 ErrMin= 7.26D-03
 ErrMax= 7.26D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.03D-03 BMatP= 9.03D-03
 IDIUse=3 WtCom= 9.27D-01 WtEn= 7.26D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.256 Goal=   None    Shift=    0.000
 GapD=    0.256 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=2.63D-03 MaxDP=8.45D-02              OVMax= 1.10D-02

 Cycle   2  Pass 1  IDiag  1:
 E= -3173.01888271453     Delta-E=       -0.002156416806 Rises=F Damp=F
 DIIS: error= 1.61D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -3173.01888271453     IErMin= 2 ErrMin= 1.61D-04
 ErrMax= 1.61D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-05 BMatP= 9.03D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.61D-03
 Coeff-Com: -0.272D-02 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.272D-02 0.100D+01
 Gap=     0.251 Goal=   None    Shift=    0.000
 RMSDP=9.53D-05 MaxDP=3.23D-03 DE=-2.16D-03 OVMax= 1.52D-03

 Cycle   3  Pass 1  IDiag  1:
 E= -3173.01888769949     Delta-E=       -0.000004984963 Rises=F Damp=F
 DIIS: error= 1.66D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -3173.01888769949     IErMin= 2 ErrMin= 1.61D-04
 ErrMax= 1.66D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.64D-05 BMatP= 1.33D-05
 IDIUse=3 WtCom= 4.37D-01 WtEn= 5.63D-01
 Coeff-Com: -0.244D-02 0.530D+00 0.472D+00
 Coeff-En:   0.000D+00 0.347D+00 0.653D+00
 Coeff:     -0.107D-02 0.427D+00 0.574D+00
 Gap=     0.251 Goal=   None    Shift=    0.000
 RMSDP=1.57D-05 MaxDP=6.50D-04 DE=-4.98D-06 OVMax= 8.43D-04

 Cycle   4  Pass 1  IDiag  1:
 E= -3173.01889540882     Delta-E=       -0.000007709325 Rises=F Damp=F
 DIIS: error= 9.45D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -3173.01889540882     IErMin= 4 ErrMin= 9.45D-05
 ErrMax= 9.45D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.98D-06 BMatP= 1.33D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.961D-03 0.176D+00 0.331D+00 0.493D+00
 Coeff:     -0.961D-03 0.176D+00 0.331D+00 0.493D+00
 Gap=     0.251 Goal=   None    Shift=    0.000
 RMSDP=4.58D-06 MaxDP=1.90D-04 DE=-7.71D-06 OVMax= 3.15D-04

 Cycle   5  Pass 1  IDiag  1:
 E= -3173.01889709386     Delta-E=       -0.000001685047 Rises=F Damp=F
 DIIS: error= 1.30D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -3173.01889709386     IErMin= 5 ErrMin= 1.30D-05
 ErrMax= 1.30D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.58D-08 BMatP= 2.98D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.218D-04-0.112D-01 0.750D-01 0.242D+00 0.694D+00
 Coeff:     -0.218D-04-0.112D-01 0.750D-01 0.242D+00 0.694D+00
 Gap=     0.251 Goal=   None    Shift=    0.000
 RMSDP=1.47D-06 MaxDP=5.81D-05 DE=-1.69D-06 OVMax= 5.41D-05

 Cycle   6  Pass 1  IDiag  1:
 E= -3173.01889714950     Delta-E=       -0.000000055639 Rises=F Damp=F
 DIIS: error= 1.65D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -3173.01889714950     IErMin= 6 ErrMin= 1.65D-06
 ErrMax= 1.65D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-09 BMatP= 9.58D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.945D-05-0.776D-02 0.236D-01 0.835D-01 0.237D+00 0.664D+00
 Coeff:      0.945D-05-0.776D-02 0.236D-01 0.835D-01 0.237D+00 0.664D+00
 Gap=     0.251 Goal=   None    Shift=    0.000
 RMSDP=2.16D-07 MaxDP=9.39D-06 DE=-5.56D-08 OVMax= 1.28D-05

 Cycle   7  Pass 1  IDiag  1:
 E= -3173.01889715054     Delta-E=       -0.000000001038 Rises=F Damp=F
 DIIS: error= 4.87D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -3173.01889715054     IErMin= 7 ErrMin= 4.87D-07
 ErrMax= 4.87D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-10 BMatP= 1.12D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.491D-05-0.335D-02 0.899D-02 0.315D-01 0.869D-01 0.311D+00
 Coeff-Com:  0.565D+00
 Coeff:      0.491D-05-0.335D-02 0.899D-02 0.315D-01 0.869D-01 0.311D+00
 Coeff:      0.565D+00
 Gap=     0.251 Goal=   None    Shift=    0.000
 RMSDP=5.13D-08 MaxDP=2.79D-06 DE=-1.04D-09 OVMax= 3.41D-06

 Cycle   8  Pass 1  IDiag  1:
 E= -3173.01889715065     Delta-E=       -0.000000000113 Rises=F Damp=F
 DIIS: error= 1.04D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -3173.01889715065     IErMin= 8 ErrMin= 1.04D-07
 ErrMax= 1.04D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.78D-12 BMatP= 1.08D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.157D-05-0.731D-03 0.159D-02 0.517D-02 0.135D-01 0.804D-01
 Coeff-Com:  0.234D+00 0.667D+00
 Coeff:      0.157D-05-0.731D-03 0.159D-02 0.517D-02 0.135D-01 0.804D-01
 Coeff:      0.234D+00 0.667D+00
 Gap=     0.251 Goal=   None    Shift=    0.000
 RMSDP=1.50D-08 MaxDP=5.11D-07 DE=-1.13D-10 OVMax= 8.39D-07

 Cycle   9  Pass 1  IDiag  1:
 E= -3173.01889715064     Delta-E=        0.000000000013 Rises=F Damp=F
 DIIS: error= 7.50D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 8 EnMin= -3173.01889715065     IErMin= 9 ErrMin= 7.50D-08
 ErrMax= 7.50D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.85D-12 BMatP= 7.78D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.390D-06-0.106D-03 0.136D-03 0.220D-03 0.541D-03 0.188D-01
 Coeff-Com:  0.765D-01 0.388D+00 0.516D+00
 Coeff:      0.390D-06-0.106D-03 0.136D-03 0.220D-03 0.541D-03 0.188D-01
 Coeff:      0.765D-01 0.388D+00 0.516D+00
 Gap=     0.251 Goal=   None    Shift=    0.000
 RMSDP=6.07D-09 MaxDP=1.80D-07 DE= 1.27D-11 OVMax= 4.92D-07

 SCF Done:  E(RB3LYP) =  -3173.01889715     A.U. after    9 cycles
            NFock=  9  Conv=0.61D-08     -V/T= 2.0016
 KE= 3.167962159007D+03 PE=-8.214284609339D+03 EE= 1.553216240197D+03
 Leave Link  502 at Thu Jul 22 18:03:59 2021, MaxMem=  5637144576 cpu:              47.2 elap:               7.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   189
 NBasis=   189 NAE=    34 NBE=    34 NFC=     0 NFV=     0
 NROrb=    189 NOA=    34 NOB=    34 NVA=   155 NVB=   155

 **** Warning!!: The largest alpha MO coefficient is  0.42015457D+02

 Leave Link  801 at Thu Jul 22 18:03:59 2021, MaxMem=  5637144576 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         1512 words used for storage of precomputed grid.
 Keep R1 and R3 ints in memory in canonical form, NReq=334210831.
 FoFCou: FMM=F IPFlag=           0 FMFlag=           0 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       600 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=  17955 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Two-electron integral symmetry not used.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=       0.
          Doing perturbations at frequencies    0.088559
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 8.78D-14 8.33D-09 XBig12= 1.00D+00 5.75D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 8.78D-14 8.33D-09 XBig12= 2.86D-01 1.49D-01.
     11 vectors produced by pass  2 Test12= 8.78D-14 8.33D-09 XBig12= 1.75D-02 2.43D-02.
     11 vectors produced by pass  3 Test12= 8.78D-14 8.33D-09 XBig12= 4.96D-04 3.88D-03.
     11 vectors produced by pass  4 Test12= 8.78D-14 8.33D-09 XBig12= 1.04D-05 8.62D-04.
     11 vectors produced by pass  5 Test12= 8.78D-14 8.33D-09 XBig12= 2.73D-07 1.03D-04.
     11 vectors produced by pass  6 Test12= 8.78D-14 8.33D-09 XBig12= 2.30D-09 9.36D-06.
     11 vectors produced by pass  7 Test12= 8.78D-14 8.33D-09 XBig12= 8.89D-12 5.01D-07.
      2 vectors produced by pass  8 Test12= 8.78D-14 8.33D-09 XBig12= 3.41D-14 2.63D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.20D-14
 Solved reduced A of dimension    90 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.702071D+02
      2 -0.173556D+01  0.500305D+02
      3  0.265264D+00  0.102055D+01  0.444743D+02
 Isotropic polarizability for W=    0.088559       54.90 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.261706D+02 -0.151364D+02 -0.757099D+01
      2  -0.679424D+01  0.354559D+01 -0.488212D+01
      3  -0.193764D+02  0.115908D+02  0.124531D+02
      4  -0.332966D+02  0.280678D+02  0.170463D+01
      5   0.120038D+01  0.138523D+01  0.126520D+02
      6   0.999738D+00  0.685975D+00 -0.712570D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.801732D+00  0.489152D+01  0.663665D+01
      2  -0.155049D+02  0.122856D+01  0.480798D+01
      3   0.700432D+01 -0.945496D+01 -0.413720D+00
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.319399D+00  0.556810D+01  0.187165D+02
      2  -0.877137D+01  0.704888D+00  0.320284D+02
      3  -0.181603D+02 -0.348621D+02 -0.385489D+00
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.327567D+00  0.225292D+01 -0.334072D+01
      2   0.225292D+01 -0.431504D+00  0.807542D+00
      3  -0.334072D+01  0.807542D+00  0.117039D+00
 OR G Eigenvalues:    -4.3433     0.4856     3.8708  Iso=    -0.0044
 Eigenvectors:
   (1)   0.650723  -0.493839   0.576786
   (2)   0.138617   0.824109   0.549208
   (3)   0.746555   0.277430  -0.604722
 w=    0.088559 a.u., Optical Rotation Beta=     -0.0044 au.
 Molar Mass =    147.3743 grams/mole, [Alpha] ( 5145.0 A) =       -1.50 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   17955 ScalPx= 1.10D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   17955 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.04D+01
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.46D-14 2.78D-09 XBig12= 1.00D+00 4.81D-01.
     30 vectors produced by pass  1 Test12= 1.46D-14 2.78D-09 XBig12= 2.82D-02 5.06D-02.
     30 vectors produced by pass  2 Test12= 1.46D-14 2.78D-09 XBig12= 8.84D-04 6.24D-03.
     30 vectors produced by pass  3 Test12= 1.46D-14 2.78D-09 XBig12= 8.04D-06 3.88D-04.
     30 vectors produced by pass  4 Test12= 1.46D-14 2.78D-09 XBig12= 2.60D-08 2.15D-05.
     30 vectors produced by pass  5 Test12= 1.46D-14 2.78D-09 XBig12= 3.83D-11 7.78D-07.
     10 vectors produced by pass  6 Test12= 1.46D-14 2.78D-09 XBig12= 3.83D-14 2.08D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.44D-15
 Solved reduced A of dimension   190 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   17955 ScalPx= 3.04D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   17955 ScalPx= 3.04D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   17955 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.60D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.702071D+02 -0.173556D+01  0.265264D+00
      2  -0.173556D+01  0.500305D+02  0.102055D+01
      3   0.265264D+00  0.102055D+01  0.444743D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.801732D+00  0.489152D+01  0.663665D+01
      2  -0.155049D+02  0.122856D+01  0.480798D+01
      3   0.700432D+01 -0.945496D+01 -0.413720D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.261706D+02 -0.151364D+02 -0.757099D+01
      2  -0.679424D+01  0.354559D+01 -0.488212D+01
      3  -0.193764D+02  0.115908D+02  0.124531D+02
      4  -0.332966D+02  0.280678D+02  0.170463D+01
      5   0.120038D+01  0.138523D+01  0.126520D+02
      6   0.999738D+00  0.685975D+00 -0.712570D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    15 ND12= 1 LenFil=     543:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.108248D+02  0.419522D+01  0.166985D+01  0.878540D+01 -0.131088D+01
      2   0.419522D+01  0.602551D+00  0.291033D-01 -0.131088D+01  0.204606D+01
      3   0.166985D+01  0.291033D-01  0.183019D+01  0.144916D+00  0.103436D+01
                 6             7             8             9            10 
      1   0.144916D+00  0.266890D+01 -0.237569D+00 -0.563258D+00  0.118436D+02
      2   0.103436D+01 -0.237569D+00  0.151103D+01 -0.172681D+01 -0.336406D+01
      3   0.248628D+01 -0.563258D+00 -0.172681D+01 -0.474258D+01 -0.733299D+00
                11            12            13            14            15 
      1  -0.336406D+01 -0.733299D+00 -0.373119D+01  0.574818D+01  0.265091D+00
      2   0.331786D+01  0.184591D+00  0.574818D+01 -0.658119D+01 -0.691038D+00
      3   0.184591D+00  0.175881D+01  0.265091D+00 -0.691038D+00 -0.123823D+01
                16            17            18            19            20 
      1  -0.158510D+01  0.306627D+00  0.430344D+01 -0.226620D+02 -0.225265D+01
      2   0.306627D+00 -0.101770D+01 -0.199653D+01 -0.225265D+01 -0.448023D+01
      3   0.430344D+01 -0.199653D+01 -0.141216D+01 -0.121333D+01 -0.170958D+00
                21            22            23            24            25 
      1  -0.121333D+01 -0.460321D+01 -0.591217D+01 -0.256411D+00 -0.280383D+01
      2  -0.170958D+00 -0.591217D+01 -0.264377D+01 -0.519958D+00 -0.150222D+00
      3  -0.327715D+01 -0.256411D+00 -0.519958D+00 -0.818503D+00 -0.546755D+01
                26            27            28            29            30 
      1  -0.150222D+00 -0.546755D+01  0.598127D+00  0.174645D+01 -0.340821D+00
      2  -0.928088D+00 -0.712344D+00  0.174645D+01  0.478799D+00 -0.152574D+00
      3  -0.712344D+00 -0.147486D+01 -0.340821D+00 -0.152574D+00 -0.330392D+00
                31            32            33            34            35 
      1   0.135617D-01  0.100757D+01 -0.313672D+00 -0.522942D+00 -0.160315D+00
      2   0.100757D+01  0.624369D+01 -0.112880D+01 -0.160315D+00 -0.136059D+01
      3  -0.313672D+00 -0.112880D+01 -0.101898D+01  0.593913D+00  0.214851D+01
                36            37            38            39            40 
      1   0.593913D+00 -0.604513D+00 -0.324957D+00  0.617602D+00 -0.464563D+00
      2   0.214851D+01 -0.324957D+00  0.810240D-01  0.109838D+00  0.467305D+00
      3  -0.277969D+00  0.617602D+00  0.109838D+00  0.185442D-01  0.160076D+00
                41            42            43            44            45 
      1   0.467305D+00  0.160076D+00  0.224297D+01  0.241479D+00  0.113346D+01
      2   0.935212D+00  0.130543D+01  0.241479D+00  0.179535D+01  0.228717D+01
      3   0.130543D+01  0.589436D+00  0.113346D+01  0.228717D+01  0.790757D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.399302D+01 -0.685278D+00 -0.659261D+00 -0.202208D+01 -0.113210D+01
      2  -0.700165D+01 -0.220321D+01 -0.103603D+02 -0.604164D+01  0.164947D+01
      3   0.405250D+01  0.470812D+01 -0.657078D+00  0.175347D+02 -0.148086D+01
                 6             7             8             9            10 
      1   0.114400D+01 -0.467777D+00  0.858174D+01  0.104306D+01 -0.175709D+01
      2   0.114960D+01 -0.237460D+02  0.108716D+00 -0.161804D+01 -0.678382D+01
      3  -0.100989D+00  0.291418D+01 -0.190457D+01  0.759430D+00  0.624350D+01
                11            12            13            14            15 
      1   0.134511D+01  0.183204D+01  0.279547D+01 -0.244575D+01 -0.739868D+01
      2   0.264851D+01  0.129088D+02  0.226573D+01 -0.376374D+01 -0.399406D+01
      3  -0.142640D+02 -0.239492D+00  0.915374D+00  0.911798D+01  0.413617D+00
                16            17            18            19            20 
      1  -0.160008D+01  0.627103D+01 -0.106903D+01 -0.718115D+00 -0.127707D+01
      2  -0.160936D+01 -0.165775D+01 -0.412835D+01  0.139497D+02  0.929236D+00
      3   0.877804D-01  0.159827D+01  0.303697D+01 -0.119703D+02 -0.116983D+02
                21            22            23            24            25 
      1  -0.152525D+00 -0.189202D+01 -0.700987D+00 -0.986125D+01  0.199857D+01
      2   0.143960D+02  0.263799D+01  0.278984D+01  0.100778D+01 -0.878565D+01
      3  -0.736554D-01  0.829345D+01 -0.236335D+01  0.493306D-01 -0.121598D+01
                26            27            28            29            30 
      1   0.947182D+01 -0.640317D-01 -0.907326D+00  0.206442D+00 -0.104653D+01
      2  -0.391198D-01  0.318152D+01  0.582446D+00 -0.730859D+00  0.305897D+01
      3  -0.244197D+00 -0.197500D+01  0.209577D+01 -0.148926D+01  0.354572D+00
                31            32            33            34            35 
      1   0.421588D+00  0.280930D+01 -0.608352D+01 -0.244006D+00 -0.119023D+01
      2   0.129088D+01 -0.101111D+01  0.165295D+01  0.179836D+01  0.128721D+01
      3   0.855584D+01 -0.566101D+01  0.447048D+00 -0.359792D+01  0.164506D+01
                36            37            38            39            40 
      1   0.327000D+01 -0.610485D+00  0.410801D+00  0.262751D-01  0.564447D+00
      2  -0.132538D+01 -0.614087D+00 -0.133419D+00  0.223370D+01 -0.152971D+00
      3  -0.110509D+01  0.446420D+00 -0.227169D+01  0.105328D+00 -0.196026D+00
                41            42            43            44            45 
      1   0.959289D+00 -0.377493D-01 -0.554562D+00  0.188084D+01 -0.266968D+01
      2   0.335535D+00  0.183727D+00 -0.276064D+01  0.116867D+01  0.375770D+01
      3  -0.480489D+00 -0.676454D+00  0.181194D+01 -0.109456D+01 -0.716308D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.386312D+02  0.314775D+01  0.224032D-01  0.729028D+01  0.126450D+01
      2   0.227078D+02 -0.408435D+00  0.363585D+00 -0.311693D+01 -0.842519D+01
      3   0.159234D+02 -0.273931D+01 -0.385988D+00 -0.417335D+01  0.716069D+01
      4   0.256544D+01 -0.270242D+02 -0.115551D+01 -0.113317D+02  0.266895D+01
      5   0.847684D+00 -0.184183D+00 -0.222178D+02 -0.774845D+00  0.139277D+01
      6   0.210637D+01  0.400469D+00  0.147222D+01  0.386555D+00  0.146469D+01
                 6             7             8             9            10 
      1  -0.266352D+01  0.277541D+01 -0.285046D+00  0.105297D+02  0.633918D+02
      2   0.326830D+01  0.836095D+00  0.555513D+01  0.254380D+01 -0.314831D+02
      3  -0.604784D+00 -0.361150D+01 -0.527008D+01 -0.130735D+02 -0.319086D+02
      4   0.227625D+01 -0.299451D+01  0.378240D+01 -0.280115D+01 -0.223915D+02
      5   0.247389D+01  0.210534D+01 -0.200660D+01 -0.539066D+01 -0.346743D+01
      6  -0.527774D+01 -0.459361D+00 -0.582801D-01 -0.679113D+01 -0.318422D+00
                11            12            13            14            15 
      1  -0.112399D+02 -0.308402D+01 -0.111332D+02  0.265509D+00  0.628376D+00
      2   0.195518D+01  0.143812D+01 -0.156188D+01  0.168656D+02  0.234950D+00
      3   0.928468D+01  0.164589D+01  0.126951D+02 -0.171311D+02 -0.863326D+00
      4   0.306920D+02  0.145754D+01  0.371089D+02 -0.272739D+02 -0.293621D+01
      5   0.696464D+00  0.238377D+02  0.523227D+00 -0.163085D+01 -0.794757D+01
      6  -0.110779D+01 -0.407354D+01 -0.538977D+00  0.661368D+00  0.150282D+02
                16            17            18            19            20 
      1  -0.532633D+01  0.144900D+01 -0.867148D+00  0.625633D+02  0.421006D+01
      2   0.320696D+01  0.112221D+00 -0.118354D+02 -0.351062D+02 -0.183296D+01
      3   0.211937D+01 -0.156122D+01  0.127026D+02 -0.274571D+02 -0.237710D+01
      4   0.270402D+01 -0.467621D+01 -0.698645D+01  0.115662D+02  0.285675D+02
      5   0.288095D+02 -0.728381D+01 -0.537055D+01  0.199502D+01  0.147757D+00
      6  -0.612875D+01  0.143982D+02  0.805192D+00 -0.138873D+01  0.803461D+00
                21            22            23            24            25 
      1   0.296902D+01  0.548350D+01 -0.103295D+02  0.915816D+00  0.425439D+01
      2  -0.117813D+01 -0.201012D+01  0.220163D+02 -0.404458D+00 -0.256619D+01
      3  -0.179089D+01 -0.347338D+01 -0.116868D+02 -0.511358D+00 -0.168820D+01
      4   0.721493D+00  0.343151D+02  0.577765D+01  0.897397D+00  0.166180D+01
      5   0.293106D+02  0.106491D+00 -0.168653D+00  0.294429D+01  0.313867D+02
      6   0.111194D+01  0.249651D-02 -0.591575D+00  0.193131D+02  0.107717D+01
                26            27            28            29            30 
      1   0.121525D+01 -0.126983D+02  0.284402D+01  0.173065D+01 -0.619192D+00
      2  -0.344366D+00 -0.144747D+02  0.130298D+01  0.166534D+01  0.536782D+00
      3  -0.870884D+00  0.271731D+02 -0.414699D+01 -0.339598D+01  0.824107D-01
      4   0.176746D+01  0.166906D+01  0.622066D+01  0.129359D+02 -0.222141D+01
      5   0.889493D+00  0.199916D+01 -0.131468D+01 -0.170802D+01  0.513222D+01
      6   0.189750D+02 -0.814675D+00 -0.199912D+01 -0.296819D+00  0.114590D+01
                31            32            33            34            35 
      1   0.564159D+00 -0.195489D+02  0.369971D+01 -0.106158D+01  0.426428D+01
      2   0.377485D+01  0.343082D+02 -0.277206D+01  0.267116D+00 -0.610797D+01
      3  -0.433901D+01 -0.147592D+02 -0.927650D+00  0.794464D+00  0.184368D+01
      4   0.758332D+01  0.157432D+02 -0.188005D+01 -0.203564D+01 -0.393833D+01
      5  -0.841994D+00 -0.126783D+01  0.156737D+01  0.342431D+01  0.351202D+01
      6  -0.449076D+00 -0.449371D+01  0.828049D+01  0.207793D+01  0.993233D+01
                36            37            38            39            40 
      1  -0.648486D+01  0.344150D+01 -0.162667D+00  0.106547D+01 -0.104768D+01
      2   0.416091D+01 -0.422610D+01 -0.222083D+00 -0.133720D+01  0.600000D+00
      3   0.232394D+01  0.784597D+00  0.384750D+00  0.271734D+00  0.447682D+00
      4   0.423076D+01  0.303613D+00  0.485931D+01  0.221843D+01  0.253150D+01
      5  -0.184958D+01  0.220468D+01  0.206853D+01  0.841158D+01  0.987120D+00
      6  -0.446527D+01  0.159990D+01  0.200679D+00  0.343478D+00  0.864265D+00
                41            42            43            44            45 
      1  -0.500524D+01 -0.326075D+01 -0.818732D+00 -0.732385D+01 -0.201289D+02
      2   0.194249D+01  0.103401D+01 -0.192082D+01  0.104615D+00 -0.100441D+02
      3   0.306275D+01  0.222675D+01  0.273955D+01  0.721924D+01  0.301729D+02
      4   0.134851D+01  0.190788D+01  0.664327D+00  0.306468D+01  0.388777D+01
      5   0.167457D+01  0.962013D+00  0.448114D+01  0.315334D+01  0.108769D+02
      6   0.397979D+01  0.713019D+01  0.169745D+01  0.678332D+01  0.122864D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul 22 18:05:49 2021, MaxMem=  5637144576 cpu:             873.2 elap:             109.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues -- -482.88143-101.55495 -62.52877 -56.34524 -56.34138
 Alpha  occ. eigenvalues --  -56.34132 -24.73205 -10.38152  -9.48725  -8.71919
 Alpha  occ. eigenvalues --   -7.24917  -7.23997  -7.23977  -6.54935  -6.53730
 Alpha  occ. eigenvalues --   -6.53711  -2.66373  -2.66033  -2.66018  -2.65054
 Alpha  occ. eigenvalues --   -2.65054  -1.27135  -0.89941  -0.81258  -0.68595
 Alpha  occ. eigenvalues --   -0.57448  -0.53317  -0.52304  -0.42127  -0.40572
 Alpha  occ. eigenvalues --   -0.35550  -0.33792  -0.31585  -0.30916
 Alpha virt. eigenvalues --   -0.05800  -0.00784  -0.00017   0.02253   0.02851
 Alpha virt. eigenvalues --    0.02991   0.05060   0.06043   0.06300   0.06747
 Alpha virt. eigenvalues --    0.07906   0.09818   0.10855   0.11754   0.14010
 Alpha virt. eigenvalues --    0.15084   0.15858   0.17205   0.17845   0.19478
 Alpha virt. eigenvalues --    0.19843   0.20801   0.21680   0.23219   0.24108
 Alpha virt. eigenvalues --    0.25636   0.26238   0.27004   0.28386   0.29489
 Alpha virt. eigenvalues --    0.31926   0.32857   0.34392   0.34857   0.36140
 Alpha virt. eigenvalues --    0.39063   0.40034   0.42306   0.43653   0.44143
 Alpha virt. eigenvalues --    0.47021   0.49279   0.50069   0.50913   0.53149
 Alpha virt. eigenvalues --    0.55793   0.56434   0.57347   0.57905   0.58921
 Alpha virt. eigenvalues --    0.60885   0.63657   0.65474   0.66134   0.68449
 Alpha virt. eigenvalues --    0.70740   0.73245   0.76015   0.79092   0.80617
 Alpha virt. eigenvalues --    0.83884   0.91618   0.94266   1.00173   1.02117
 Alpha virt. eigenvalues --    1.05616   1.10303   1.16677   1.17236   1.24129
 Alpha virt. eigenvalues --    1.26032   1.32662   1.42251   1.44775   1.48110
 Alpha virt. eigenvalues --    1.48702   1.49394   1.51753   1.52912   1.59019
 Alpha virt. eigenvalues --    1.61311   1.65831   1.68294   1.69469   1.72041
 Alpha virt. eigenvalues --    1.76032   1.78103   1.80598   1.83372   1.86643
 Alpha virt. eigenvalues --    1.90602   1.91044   1.92062   1.94991   1.97267
 Alpha virt. eigenvalues --    2.01234   2.03048   2.06491   2.06880   2.10281
 Alpha virt. eigenvalues --    2.15790   2.21605   2.30208   2.33135   2.36265
 Alpha virt. eigenvalues --    2.39395   2.42508   2.45578   2.49353   2.61223
 Alpha virt. eigenvalues --    2.65452   2.75198   2.81759   2.84519   2.99916
 Alpha virt. eigenvalues --    3.17469   3.22858   3.25144   3.29247   3.37276
 Alpha virt. eigenvalues --    3.37529   3.41912   3.54990   3.61126   3.64111
 Alpha virt. eigenvalues --    3.82303   3.83370   4.11096   4.11395   4.12262
 Alpha virt. eigenvalues --    4.16729   4.24563   4.25066   4.36841   4.62573
 Alpha virt. eigenvalues --    5.29120   6.82333   6.82591   6.93266   6.94834
 Alpha virt. eigenvalues --    7.25006   7.26303   7.34482   7.79602   8.48320
 Alpha virt. eigenvalues --    8.49065   8.75563   8.78447   9.22509  10.86591
 Alpha virt. eigenvalues --   10.87868  11.28700  22.22635  25.90408  57.28661
          Condensed to atoms (all electrons):
               1          2          3          4          5
     1  C    4.660028   0.266926   0.256248   0.181716   0.340275
     2  Cl   0.266926  17.011494  -0.059861  -0.039525  -0.033434
     3  Br   0.256248  -0.059861  35.042911  -0.050449  -0.051682
     4  F    0.181716  -0.039525  -0.050449   9.130201  -0.009867
     5  H    0.340275  -0.033434  -0.051682  -0.009867   0.554676
 Mulliken charges:
               1
     1  C    0.294808
     2  Cl  -0.145599
     3  Br  -0.137165
     4  F   -0.212075
     5  H    0.200032
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.494840
     2  Cl  -0.145599
     3  Br  -0.137165
     4  F   -0.212075
 Electronic spatial extent (au):  <R**2>=            648.8549
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0585    Y=             -0.0816    Z=              1.2023  Tot=              1.2065
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -41.7944   YY=            -43.4259   ZZ=            -40.5438
   XY=             -0.0634   XZ=              1.0734   YZ=              1.4660
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.1270   YY=             -1.5046   ZZ=              1.3776
   XY=             -0.0634   XZ=              1.0734   YZ=              1.4660
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -28.8256  YYY=              0.3905  ZZZ=              0.7255  XYY=             -8.0991
  XXY=             -2.9116  XXZ=             -2.9305  XZZ=             -6.8204  YZZ=              2.7121
  YYZ=             -0.4998  XYZ=              1.2024
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -474.3238 YYYY=           -177.2919 ZZZZ=            -58.4327 XXXY=              8.3303
 XXXZ=             -0.7680 YYYX=              7.1046 YYYZ=             -0.3726 ZZZX=              1.9884
 ZZZY=              0.4632 XXYY=           -106.9562 XXZZ=            -93.2077 YYZZ=            -38.7224
 XXYZ=              2.8098 YYXZ=             -0.5061 ZZXY=              4.8827
 N-N= 3.200873129847D+02 E-N=-8.214284608478D+03  KE= 3.167962159007D+03
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul 22 18:05:49 2021, MaxMem=  5637144576 cpu:               1.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.05291525D-02-2.55286268D-02 4.79815606D-01
 Polarizability= 5.98927256D+01-1.54519883D+00 4.05019425D+01
                 4.92723801D-01 1.59046193D+00 3.46058326D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.1326   -0.1326       -0.8679   -0.8678
 2      0.1326    0.1326       -0.5103   -0.5103      -10.0881  -10.0883
 3      0.8678    0.8678       12.8661   12.8664        0.5103    0.5103
 4      0.5103    0.5103        0.0000    0.0000        0.8677    0.8678
 5     -2.7780   -2.7781       -0.8677   -0.8678       -0.1326   -0.1326
 6     -0.5103   -0.5103        0.1326    0.1326        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.3979    0.3979       -2.6033   -2.6033
 2      1.5308    1.5308       -0.0000    0.0000       -2.6033   -2.6033
 3      1.5308    1.5308        0.3979    0.3979       -0.0000    0.0000
 4      0.3979    0.3979       -1.5308   -1.5308      -30.2648  -30.2648
 5      2.6033    2.6033       38.5992   38.5992        1.5308    1.5308
 6     -8.3344   -8.3344       -2.6033   -2.6033       -0.3979   -0.3979
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0220    0.0000        0.4928    0.5305        3.5538    3.4711
 2     -0.5393   -0.5305        2.0774    2.0411       40.3971   40.3530
 3     -3.4439   -3.4711      -51.4237  -51.4656       -2.1673   -2.0411
 4     -2.0564   -2.0411        0.0054    0.0000       -3.5035   -3.4711
 5     11.1116   11.1125        3.3889    3.4711        0.5537    0.5305
 6      2.0365    2.0411       -0.5466   -0.5305        0.0251    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0033    0.0000       13.6472   13.6410       10.5796   10.6133
 2    -13.6787  -13.6410       -4.6774   -4.6470       -4.0334   -4.0606
 3    -10.6308  -10.6133        0.8023    0.7760        4.4990    4.6470
 4      4.6288    4.6470        0.0654    0.0000      -10.6361  -10.6133
 5      3.3076    3.2846       10.7058   10.6133       13.4834   13.6410
 6     -4.6252   -4.6470      -13.7229  -13.6410        0.1039    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     12.5782   12.5822       26.1658   26.1709        0.5662    0.5144
 2     15.3612   15.4158       26.8182   26.7271        0.4268    0.5144
 3     15.3787   15.4158       26.2497   26.1709       -2.7475   -2.6889
 4     -0.6024   -0.5562       -2.8581   -2.8336       -2.0599   -2.0486
 5     -3.1612   -3.2033       -0.1402   -0.1322        2.9821    2.8336
 6      2.2180    2.1808        3.3332    3.2033        0.4268    0.5562
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.9068    0.0067    0.0075    0.0111    2.4512    4.6877
 Low frequencies ---  220.1431  308.3106  421.2903
 Diagonal vibrational polarizability:
       13.1917743       5.9830010       0.7150335
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --    220.1431               308.3105               421.2903
 Red. masses --     26.5398                21.0395                17.6134
 Frc consts  --      0.7578                 1.1783                 1.8419
 IR Inten    --      0.0495                 0.2395                 0.6739
 RamAct Fr= 1--      4.3932                 3.9145                 6.4305
  Dep-P Fr= 1--      0.3462                 0.3556                 0.1318
  Dep-U Fr= 1--      0.5143                 0.5247                 0.2329
 Alpha2 Fr= 1--      0.0390                 0.0337                 0.1041
 Beta2  Fr= 1--      0.3766                 0.3423                 0.2496
 AlphaG Fr= 1--      0.0136                -0.0311                 0.0095
 Gamma2 Fr= 1--      0.0847                -0.0818                -0.1380
 Delta2 Fr= 1--      0.0281                -0.0354                 0.0244
 Raman1 Fr= 1--      17.573                 15.658                 25.722
 ROA1   Fr= 1--       9.032                 -8.988                -12.469
 CID1   Fr= 1--       0.514                 -0.574                 -0.485
 Raman2 Fr= 1--       4.519                  4.108                  2.996
 ROA2   Fr= 1--       1.808                 -1.681                 -3.508
 CID2   Fr= 1--       0.400                 -0.409                 -1.171
 Raman3 Fr= 1--       9.038                  8.216                  5.991
 ROA3   Fr= 1--       9.032                 -8.988                -12.469
 CID3   Fr= 1--       0.999                 -1.094                 -2.081
 RC180  Fr= 1--       0.029                  0.049                 -0.534
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.36  -0.08     0.10   0.24  -0.10     0.15   0.27  -0.36
     2  17     0.64   0.11   0.02    -0.07   0.17  -0.01     0.21  -0.36   0.05
     3  35    -0.30   0.10   0.01    -0.18  -0.16   0.01    -0.08  -0.04   0.01
     4   9     0.00  -0.34  -0.02     0.84   0.19   0.04    -0.17   0.62   0.11
     5   1    -0.00  -0.46  -0.06    -0.18   0.21  -0.09     0.21   0.06  -0.35
                      4                      5                      6
                      A                      A                      A
 Frequencies --    644.8537               752.9321              1080.7938
 Red. masses --      5.6839                 8.0982                11.5581
 Frc consts  --      1.3926                 2.7049                 7.9547
 IR Inten    --     66.9507               199.4254               196.1233
 RamAct Fr= 1--     20.8250                 4.2584                 2.9841
  Dep-P Fr= 1--      0.1039                 0.6247                 0.5673
  Dep-U Fr= 1--      0.1883                 0.7690                 0.7239
 Alpha2 Fr= 1--      0.3611                 0.0097                 0.0103
 Beta2  Fr= 1--      0.6536                 0.5458                 0.3600
 AlphaG Fr= 1--      0.0494                -0.0061                -0.0002
 Gamma2 Fr= 1--     -0.5755                 1.1745                 0.0164
 Delta2 Fr= 1--      0.1387                -0.1588                 0.0339
 Raman1 Fr= 1--      83.300                 17.034                 11.936
 ROA1   Fr= 1--     -50.812                107.672                  2.658
 CID1   Fr= 1--      -0.610                  6.321                  0.223
 Raman2 Fr= 1--       7.843                  6.550                  4.321
 ROA2   Fr= 1--     -14.922                 29.459                  0.121
 CID2   Fr= 1--      -1.903                  4.498                  0.028
 Raman3 Fr= 1--      15.686                 13.099                  8.641
 ROA3   Fr= 1--     -50.812                107.672                  2.658
 CID3   Fr= 1--      -3.239                  8.220                  0.308
 RC180  Fr= 1--      -0.623                  0.538                  0.448
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.35   0.22   0.44     0.60  -0.30  -0.27     0.13   0.64  -0.39
     2  17     0.01  -0.04  -0.04    -0.13   0.10   0.09    -0.00  -0.00   0.00
     3  35    -0.05  -0.02  -0.04    -0.02   0.00  -0.00     0.00   0.00   0.00
     4   9    -0.06  -0.03  -0.07    -0.08   0.02   0.04    -0.08  -0.41   0.24
     5   1     0.48   0.45   0.42     0.45  -0.41  -0.26    -0.12   0.24  -0.34
                      7                      8                      9
                      A                      A                      A
 Frequencies --   1217.2294              1325.7234              3153.3835
 Red. masses --      1.0950                 1.1129                 1.0883
 Frc consts  --      0.9559                 1.1524                 6.3763
 IR Inten    --     65.2114                12.2218                 1.0582
 RamAct Fr= 1--      3.3046                 4.6420                83.5952
  Dep-P Fr= 1--      0.2818                 0.4383                 0.2069
  Dep-U Fr= 1--      0.4397                 0.6095                 0.3429
 Alpha2 Fr= 1--      0.0358                 0.0298                 1.1146
 Beta2  Fr= 1--      0.2422                 0.4715                 4.7769
 AlphaG Fr= 1--      0.0841                -0.0219                -0.0778
 Gamma2 Fr= 1--      0.3921                -0.1963                 0.4773
 Delta2 Fr= 1--      0.0877                 0.0770                -0.2494
 Raman1 Fr= 1--      13.218                 18.568                334.381
 ROA1   Fr= 1--      40.450                -16.385                 37.843
 CID1   Fr= 1--       3.060                 -0.882                  0.113
 Raman2 Fr= 1--       2.906                  5.658                 57.323
 ROA2   Fr= 1--       8.710                 -5.328                 13.451
 CID2   Fr= 1--       2.997                 -0.942                  0.235
 Raman3 Fr= 1--       5.812                 11.317                114.646
 ROA3   Fr= 1--      40.450                -16.385                 37.843
 CID3   Fr= 1--       6.959                 -1.448                  0.330
 RC180  Fr= 1--      -0.121                  0.219                 -0.314
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.01  -0.02    -0.01  -0.08  -0.03    -0.00  -0.01  -0.08
     2  17    -0.00   0.01   0.01     0.00   0.00  -0.01    -0.00  -0.00   0.00
     3  35    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     4   9     0.01  -0.01   0.01    -0.00  -0.00   0.04     0.00   0.00   0.00
     5   1     0.99  -0.07  -0.04     0.06   0.98  -0.15     0.03   0.11   0.99

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number 17 and mass  34.96885
 Atom     3 has atomic number 35 and mass  78.91834
 Atom     4 has atomic number  9 and mass  18.99840
 Atom     5 has atomic number  1 and mass   1.00783
 Molecular mass:   145.89342 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   281.00668 908.957091152.75840
           X            0.99995  -0.00934   0.00402
           Y            0.00927   0.99982   0.01651
           Z           -0.00417  -0.01647   0.99986
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.30823     0.09529     0.07514
 Rotational constants (GHZ):           6.42241     1.98551     1.56558
 Zero-point vibrational energy      54577.6 (Joules/Mol)
                                   13.04436 (Kcal/Mol)
 Warning -- explicit consideration of   3 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    316.74   443.59   606.14   927.80  1083.30
          (Kelvin)           1555.02  1751.32  1907.42  4537.02
 
 Zero-point correction=                           0.020788 (Hartree/Particle)
 Thermal correction to Energy=                    0.025132
 Thermal correction to Enthalpy=                  0.026076
 Thermal correction to Gibbs Free Energy=        -0.008608
 Sum of electronic and zero-point Energies=          -3172.995939
 Sum of electronic and thermal Energies=             -3172.991595
 Sum of electronic and thermal Enthalpies=           -3172.990651
 Sum of electronic and thermal Free Energies=        -3173.025334
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   15.770             13.150             72.998
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.844
 Rotational               0.889              2.981             27.179
 Vibrational             13.993              7.189              4.975
 Vibration     1          0.647              1.810              1.958
 Vibration     2          0.698              1.658              1.371
 Vibration     3          0.784              1.424              0.888
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.910574D+04          3.959315          9.116660
 Total V=0       0.331814D+14         13.520895         31.133011
 Vib (Bot)       0.676804D-09         -9.169537        -21.113640
 Vib (Bot)    1  0.898468D+00         -0.046497         -0.107064
 Vib (Bot)    2  0.613919D+00         -0.211889         -0.487893
 Vib (Bot)    3  0.416378D+00         -0.380513         -0.876163
 Vib (V=0)       0.246628D+01          0.392043          0.902712
 Vib (V=0)    1  0.152822D+01          0.184187          0.424107
 Vib (V=0)    2  0.129177D+01          0.111184          0.256012
 Vib (V=0)    3  0.115067D+01          0.060950          0.140344
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.692640D+08          7.840507         18.053436
 Rotational      0.194243D+06          5.288345         12.176864
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                                                                         1   1     1                                           
     1                                                                         3   2     0            7    6        4   3   2        
     5                                                                         2   1     8            5    4        2   0   2        
     3                                                                         6   7     1            3    5        1   8   0        
 
     X                                                                         X   X     X            X    X        X   X            
                                                                                   X     X            X    X                         
                                                                                   X     X            X    X                         
                                                                                   X     X            X    X                         
                                                                                   X     X            X    X                         
                                                                                   X     X            X    X                         
                                                                                   X     X            X    X                         
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000376    0.000007596    0.000008380
      2       17          -0.000005249   -0.000002155   -0.000004880
      3       35           0.000006364   -0.000001735    0.000001409
      4        9          -0.000001304   -0.000002289   -0.000003894
      5        1          -0.000000188   -0.000001417   -0.000001014
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000008380 RMS     0.000004121
 Force constants in Cartesian coordinates: 
                1             2             3             4             5 
      1  0.243316D+00
      2  0.944894D-02  0.345246D+00
      3 -0.750868D-02 -0.135628D-01  0.564762D+00
      4 -0.759742D-01  0.392777D-01  0.364195D-01  0.115290D+00
      5  0.317880D-01 -0.587631D-01 -0.318815D-01 -0.779008D-01  0.107857D+00
      6  0.221968D-01 -0.206848D-01 -0.581604D-01 -0.351626D-01  0.299508D-01
      7 -0.702310D-01 -0.147378D-01 -0.333916D-01 -0.342684D-01  0.708698D-02
      8 -0.119859D-01 -0.262034D-01 -0.126933D-01  0.829409D-02  0.539661D-02
      9 -0.197735D-01 -0.801973D-02 -0.430829D-01  0.280635D-02  0.169533D-02
     10 -0.611045D-01 -0.310879D-01  0.222137D-01  0.286213D-02  0.242599D-01
     11 -0.269721D-01 -0.213011D+00  0.110690D+00  0.206874D-01 -0.478458D-01
     12  0.154907D-01  0.810553D-01 -0.130831D+00 -0.641041D-02  0.351968D-02
     13 -0.360061D-01 -0.290088D-02 -0.177329D-01 -0.790979D-02  0.147659D-01
     14 -0.227883D-02 -0.472682D-01 -0.525527D-01  0.964160D-02 -0.664483D-02
     15 -0.104053D-01 -0.387879D-01 -0.332687D+00  0.234723D-02 -0.328426D-02
                6             7             8             9            10 
      6  0.409478D-01
      7 -0.256157D-03  0.137170D+00
      8  0.200933D-02  0.413150D-01  0.409488D-01
      9  0.566192D-02  0.289149D-01  0.983497D-02  0.275773D-01
     10 -0.742308D-02 -0.167381D-01 -0.283901D-01  0.800435D-02  0.682318D-01
     11  0.548366D-02 -0.278658D-01 -0.212061D-01  0.282231D-02  0.378257D-01
     12  0.119779D-01  0.672376D-02  0.198407D-02  0.894446D-02 -0.243323D-01
     13  0.206451D-01 -0.159320D-01 -0.923302D-02 -0.199521D-01  0.674878D-02
     14 -0.167590D-01 -0.579830D-02  0.106409D-02 -0.633288D-02 -0.260764D-02
     15 -0.427250D-03 -0.199091D-02 -0.113504D-02  0.899157D-03  0.153730D-02
               11            12            13            14            15 
     11  0.293965D+00
     12 -0.130687D+00  0.124021D+00
     13 -0.367516D-02  0.852824D-02  0.530991D-01
     14 -0.119017D-01  0.441277D-01  0.104317D-02  0.647506D-01
     15  0.116904D-01 -0.141126D-01  0.851170D-02  0.315168D-01  0.346328D+00
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.702071D+02 -0.173556D+01  0.265264D+00
      2  -0.173556D+01  0.500305D+02  0.102055D+01
      3   0.265264D+00  0.102055D+01  0.444743D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.801732D+00  0.489152D+01  0.663665D+01
      2  -0.155049D+02  0.122856D+01  0.480798D+01
      3   0.700432D+01 -0.945496D+01 -0.413720D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.261706D+02 -0.151364D+02 -0.757099D+01
      2  -0.679423D+01  0.354559D+01 -0.488212D+01
      3  -0.193764D+02  0.115908D+02  0.124531D+02
      4  -0.332966D+02  0.280678D+02  0.170463D+01
      5   0.120038D+01  0.138523D+01  0.126520D+02
      6   0.999738D+00  0.685975D+00 -0.712570D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    15 ND12= 1 LenFil=     543:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.108248D+02  0.419522D+01  0.166985D+01  0.878540D+01 -0.131088D+01
      2   0.419522D+01  0.602551D+00  0.291033D-01 -0.131088D+01  0.204606D+01
      3   0.166985D+01  0.291033D-01  0.183019D+01  0.144916D+00  0.103436D+01
                 6             7             8             9            10 
      1   0.144916D+00  0.266890D+01 -0.237569D+00 -0.563258D+00  0.118436D+02
      2   0.103436D+01 -0.237569D+00  0.151103D+01 -0.172681D+01 -0.336406D+01
      3   0.248628D+01 -0.563258D+00 -0.172681D+01 -0.474258D+01 -0.733299D+00
                11            12            13            14            15 
      1  -0.336406D+01 -0.733299D+00 -0.373119D+01  0.574818D+01  0.265091D+00
      2   0.331786D+01  0.184591D+00  0.574818D+01 -0.658119D+01 -0.691038D+00
      3   0.184591D+00  0.175881D+01  0.265091D+00 -0.691038D+00 -0.123823D+01
                16            17            18            19            20 
      1  -0.158510D+01  0.306627D+00  0.430344D+01 -0.226620D+02 -0.225265D+01
      2   0.306627D+00 -0.101770D+01 -0.199653D+01 -0.225265D+01 -0.448023D+01
      3   0.430344D+01 -0.199653D+01 -0.141216D+01 -0.121333D+01 -0.170958D+00
                21            22            23            24            25 
      1  -0.121333D+01 -0.460321D+01 -0.591217D+01 -0.256411D+00 -0.280383D+01
      2  -0.170958D+00 -0.591217D+01 -0.264377D+01 -0.519958D+00 -0.150222D+00
      3  -0.327715D+01 -0.256411D+00 -0.519958D+00 -0.818503D+00 -0.546755D+01
                26            27            28            29            30 
      1  -0.150222D+00 -0.546755D+01  0.598128D+00  0.174645D+01 -0.340821D+00
      2  -0.928088D+00 -0.712344D+00  0.174645D+01  0.478799D+00 -0.152574D+00
      3  -0.712344D+00 -0.147486D+01 -0.340821D+00 -0.152574D+00 -0.330392D+00
                31            32            33            34            35 
      1   0.135617D-01  0.100757D+01 -0.313672D+00 -0.522942D+00 -0.160315D+00
      2   0.100757D+01  0.624369D+01 -0.112880D+01 -0.160315D+00 -0.136059D+01
      3  -0.313672D+00 -0.112880D+01 -0.101898D+01  0.593913D+00  0.214851D+01
                36            37            38            39            40 
      1   0.593913D+00 -0.604513D+00 -0.324957D+00  0.617602D+00 -0.464563D+00
      2   0.214851D+01 -0.324957D+00  0.810241D-01  0.109838D+00  0.467305D+00
      3  -0.277969D+00  0.617602D+00  0.109838D+00  0.185442D-01  0.160076D+00
                41            42            43            44            45 
      1   0.467305D+00  0.160076D+00  0.224297D+01  0.241479D+00  0.113346D+01
      2   0.935212D+00  0.130543D+01  0.241479D+00  0.179535D+01  0.228717D+01
      3   0.130543D+01  0.589436D+00  0.113346D+01  0.228717D+01  0.790757D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.399302D+01 -0.685278D+00 -0.659261D+00 -0.202208D+01 -0.113210D+01
      2  -0.700165D+01 -0.220321D+01 -0.103603D+02 -0.604164D+01  0.164947D+01
      3   0.405250D+01  0.470812D+01 -0.657078D+00  0.175347D+02 -0.148086D+01
                 6             7             8             9            10 
      1   0.114400D+01 -0.467777D+00  0.858174D+01  0.104306D+01 -0.175709D+01
      2   0.114960D+01 -0.237460D+02  0.108716D+00 -0.161804D+01 -0.678382D+01
      3  -0.100989D+00  0.291418D+01 -0.190457D+01  0.759430D+00  0.624350D+01
                11            12            13            14            15 
      1   0.134511D+01  0.183204D+01  0.279547D+01 -0.244575D+01 -0.739868D+01
      2   0.264851D+01  0.129088D+02  0.226573D+01 -0.376374D+01 -0.399406D+01
      3  -0.142640D+02 -0.239492D+00  0.915374D+00  0.911798D+01  0.413617D+00
                16            17            18            19            20 
      1  -0.160008D+01  0.627103D+01 -0.106903D+01 -0.718115D+00 -0.127707D+01
      2  -0.160936D+01 -0.165775D+01 -0.412835D+01  0.139497D+02  0.929235D+00
      3   0.877805D-01  0.159827D+01  0.303697D+01 -0.119703D+02 -0.116983D+02
                21            22            23            24            25 
      1  -0.152525D+00 -0.189202D+01 -0.700987D+00 -0.986125D+01  0.199857D+01
      2   0.143960D+02  0.263799D+01  0.278984D+01  0.100778D+01 -0.878565D+01
      3  -0.736554D-01  0.829345D+01 -0.236335D+01  0.493306D-01 -0.121598D+01
                26            27            28            29            30 
      1   0.947182D+01 -0.640317D-01 -0.907326D+00  0.206442D+00 -0.104653D+01
      2  -0.391198D-01  0.318152D+01  0.582446D+00 -0.730859D+00  0.305897D+01
      3  -0.244197D+00 -0.197500D+01  0.209577D+01 -0.148926D+01  0.354572D+00
                31            32            33            34            35 
      1   0.421589D+00  0.280930D+01 -0.608352D+01 -0.244006D+00 -0.119023D+01
      2   0.129088D+01 -0.101111D+01  0.165295D+01  0.179836D+01  0.128721D+01
      3   0.855584D+01 -0.566101D+01  0.447048D+00 -0.359792D+01  0.164506D+01
                36            37            38            39            40 
      1   0.327000D+01 -0.610485D+00  0.410801D+00  0.262752D-01  0.564447D+00
      2  -0.132538D+01 -0.614087D+00 -0.133419D+00  0.223370D+01 -0.152971D+00
      3  -0.110509D+01  0.446420D+00 -0.227169D+01  0.105328D+00 -0.196026D+00
                41            42            43            44            45 
      1   0.959289D+00 -0.377493D-01 -0.554562D+00  0.188084D+01 -0.266968D+01
      2   0.335535D+00  0.183727D+00 -0.276064D+01  0.116867D+01  0.375770D+01
      3  -0.480489D+00 -0.676454D+00  0.181194D+01 -0.109456D+01 -0.716308D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.386312D+02  0.314775D+01  0.224031D-01  0.729028D+01  0.126450D+01
      2   0.227078D+02 -0.408435D+00  0.363585D+00 -0.311693D+01 -0.842519D+01
      3   0.159234D+02 -0.273931D+01 -0.385988D+00 -0.417335D+01  0.716069D+01
      4   0.256544D+01 -0.270242D+02 -0.115551D+01 -0.113317D+02  0.266895D+01
      5   0.847684D+00 -0.184183D+00 -0.222178D+02 -0.774845D+00  0.139277D+01
      6   0.210637D+01  0.400469D+00  0.147222D+01  0.386555D+00  0.146469D+01
                 6             7             8             9            10 
      1  -0.266352D+01  0.277541D+01 -0.285046D+00  0.105297D+02  0.633918D+02
      2   0.326830D+01  0.836096D+00  0.555513D+01  0.254380D+01 -0.314831D+02
      3  -0.604784D+00 -0.361150D+01 -0.527008D+01 -0.130735D+02 -0.319086D+02
      4   0.227625D+01 -0.299451D+01  0.378240D+01 -0.280115D+01 -0.223915D+02
      5   0.247389D+01  0.210534D+01 -0.200660D+01 -0.539066D+01 -0.346743D+01
      6  -0.527774D+01 -0.459361D+00 -0.582801D-01 -0.679113D+01 -0.318422D+00
                11            12            13            14            15 
      1  -0.112399D+02 -0.308401D+01 -0.111332D+02  0.265508D+00  0.628376D+00
      2   0.195518D+01  0.143812D+01 -0.156188D+01  0.168656D+02  0.234950D+00
      3   0.928468D+01  0.164589D+01  0.126951D+02 -0.171311D+02 -0.863326D+00
      4   0.306921D+02  0.145754D+01  0.371089D+02 -0.272739D+02 -0.293621D+01
      5   0.696464D+00  0.238377D+02  0.523227D+00 -0.163085D+01 -0.794757D+01
      6  -0.110779D+01 -0.407354D+01 -0.538977D+00  0.661368D+00  0.150282D+02
                16            17            18            19            20 
      1  -0.532633D+01  0.144900D+01 -0.867148D+00  0.625633D+02  0.421006D+01
      2   0.320696D+01  0.112221D+00 -0.118354D+02 -0.351062D+02 -0.183296D+01
      3   0.211937D+01 -0.156122D+01  0.127026D+02 -0.274571D+02 -0.237710D+01
      4   0.270402D+01 -0.467622D+01 -0.698645D+01  0.115662D+02  0.285675D+02
      5   0.288095D+02 -0.728381D+01 -0.537055D+01  0.199502D+01  0.147757D+00
      6  -0.612875D+01  0.143982D+02  0.805192D+00 -0.138873D+01  0.803461D+00
                21            22            23            24            25 
      1   0.296902D+01  0.548350D+01 -0.103295D+02  0.915816D+00  0.425439D+01
      2  -0.117813D+01 -0.201012D+01  0.220163D+02 -0.404458D+00 -0.256619D+01
      3  -0.179089D+01 -0.347338D+01 -0.116868D+02 -0.511358D+00 -0.168820D+01
      4   0.721493D+00  0.343151D+02  0.577765D+01  0.897397D+00  0.166180D+01
      5   0.293106D+02  0.106491D+00 -0.168653D+00  0.294429D+01  0.313867D+02
      6   0.111194D+01  0.249652D-02 -0.591575D+00  0.193131D+02  0.107717D+01
                26            27            28            29            30 
      1   0.121525D+01 -0.126983D+02  0.284402D+01  0.173065D+01 -0.619192D+00
      2  -0.344366D+00 -0.144747D+02  0.130298D+01  0.166534D+01  0.536782D+00
      3  -0.870884D+00  0.271731D+02 -0.414699D+01 -0.339598D+01  0.824106D-01
      4   0.176746D+01  0.166906D+01  0.622066D+01  0.129359D+02 -0.222141D+01
      5   0.889493D+00  0.199916D+01 -0.131468D+01 -0.170802D+01  0.513222D+01
      6   0.189750D+02 -0.814675D+00 -0.199912D+01 -0.296819D+00  0.114590D+01
                31            32            33            34            35 
      1   0.564159D+00 -0.195489D+02  0.369971D+01 -0.106158D+01  0.426428D+01
      2   0.377485D+01  0.343082D+02 -0.277206D+01  0.267116D+00 -0.610797D+01
      3  -0.433901D+01 -0.147592D+02 -0.927650D+00  0.794464D+00  0.184368D+01
      4   0.758332D+01  0.157432D+02 -0.188005D+01 -0.203564D+01 -0.393833D+01
      5  -0.841994D+00 -0.126783D+01  0.156737D+01  0.342431D+01  0.351202D+01
      6  -0.449076D+00 -0.449371D+01  0.828049D+01  0.207793D+01  0.993233D+01
                36            37            38            39            40 
      1  -0.648486D+01  0.344150D+01 -0.162667D+00  0.106547D+01 -0.104768D+01
      2   0.416091D+01 -0.422610D+01 -0.222083D+00 -0.133720D+01  0.600000D+00
      3   0.232394D+01  0.784597D+00  0.384750D+00  0.271734D+00  0.447682D+00
      4   0.423076D+01  0.303613D+00  0.485931D+01  0.221843D+01  0.253150D+01
      5  -0.184958D+01  0.220468D+01  0.206853D+01  0.841158D+01  0.987120D+00
      6  -0.446527D+01  0.159990D+01  0.200679D+00  0.343478D+00  0.864265D+00
                41            42            43            44            45 
      1  -0.500524D+01 -0.326075D+01 -0.818732D+00 -0.732385D+01 -0.201289D+02
      2   0.194249D+01  0.103401D+01 -0.192082D+01  0.104615D+00 -0.100441D+02
      3   0.306275D+01  0.222675D+01  0.273955D+01  0.721924D+01  0.301729D+02
      4   0.134851D+01  0.190788D+01  0.664327D+00  0.306468D+01  0.388777D+01
      5   0.167457D+01  0.962013D+00  0.448114D+01  0.315334D+01  0.108769D+02
      6   0.397979D+01  0.713019D+01  0.169745D+01  0.678332D+01  0.122864D+02
 Leave Link  716 at Thu Jul 22 18:05:49 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.702071D+02 -0.173556D+01  0.265264D+00
      2  -0.173556D+01  0.500305D+02  0.102055D+01
      3   0.265264D+00  0.102055D+01  0.444743D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.801732D+00  0.489152D+01  0.663665D+01
      2  -0.155049D+02  0.122856D+01  0.480798D+01
      3   0.700432D+01 -0.945496D+01 -0.413720D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.261706D+02 -0.151364D+02 -0.757099D+01
      2  -0.679423D+01  0.354559D+01 -0.488212D+01
      3  -0.193764D+02  0.115908D+02  0.124531D+02
      4  -0.332966D+02  0.280678D+02  0.170463D+01
      5   0.120038D+01  0.138523D+01  0.126520D+02
      6   0.999738D+00  0.685975D+00 -0.712570D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    15 ND12= 1 LenFil=     543:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.108248D+02  0.419522D+01  0.166985D+01  0.878540D+01 -0.131088D+01
      2   0.419522D+01  0.602551D+00  0.291033D-01 -0.131088D+01  0.204606D+01
      3   0.166985D+01  0.291033D-01  0.183019D+01  0.144916D+00  0.103436D+01
                 6             7             8             9            10 
      1   0.144916D+00  0.266890D+01 -0.237569D+00 -0.563258D+00  0.118436D+02
      2   0.103436D+01 -0.237569D+00  0.151103D+01 -0.172681D+01 -0.336406D+01
      3   0.248628D+01 -0.563258D+00 -0.172681D+01 -0.474258D+01 -0.733299D+00
                11            12            13            14            15 
      1  -0.336406D+01 -0.733299D+00 -0.373119D+01  0.574818D+01  0.265091D+00
      2   0.331786D+01  0.184591D+00  0.574818D+01 -0.658119D+01 -0.691038D+00
      3   0.184591D+00  0.175881D+01  0.265091D+00 -0.691038D+00 -0.123823D+01
                16            17            18            19            20 
      1  -0.158510D+01  0.306627D+00  0.430344D+01 -0.226620D+02 -0.225265D+01
      2   0.306627D+00 -0.101770D+01 -0.199653D+01 -0.225265D+01 -0.448023D+01
      3   0.430344D+01 -0.199653D+01 -0.141216D+01 -0.121333D+01 -0.170958D+00
                21            22            23            24            25 
      1  -0.121333D+01 -0.460321D+01 -0.591217D+01 -0.256411D+00 -0.280383D+01
      2  -0.170958D+00 -0.591217D+01 -0.264377D+01 -0.519958D+00 -0.150222D+00
      3  -0.327715D+01 -0.256411D+00 -0.519958D+00 -0.818503D+00 -0.546755D+01
                26            27            28            29            30 
      1  -0.150222D+00 -0.546755D+01  0.598128D+00  0.174645D+01 -0.340821D+00
      2  -0.928088D+00 -0.712344D+00  0.174645D+01  0.478799D+00 -0.152574D+00
      3  -0.712344D+00 -0.147486D+01 -0.340821D+00 -0.152574D+00 -0.330392D+00
                31            32            33            34            35 
      1   0.135617D-01  0.100757D+01 -0.313672D+00 -0.522942D+00 -0.160315D+00
      2   0.100757D+01  0.624369D+01 -0.112880D+01 -0.160315D+00 -0.136059D+01
      3  -0.313672D+00 -0.112880D+01 -0.101898D+01  0.593913D+00  0.214851D+01
                36            37            38            39            40 
      1   0.593913D+00 -0.604513D+00 -0.324957D+00  0.617602D+00 -0.464563D+00
      2   0.214851D+01 -0.324957D+00  0.810241D-01  0.109838D+00  0.467305D+00
      3  -0.277969D+00  0.617602D+00  0.109838D+00  0.185442D-01  0.160076D+00
                41            42            43            44            45 
      1   0.467305D+00  0.160076D+00  0.224297D+01  0.241479D+00  0.113346D+01
      2   0.935212D+00  0.130543D+01  0.241479D+00  0.179535D+01  0.228717D+01
      3   0.130543D+01  0.589436D+00  0.113346D+01  0.228717D+01  0.790757D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.399302D+01 -0.685278D+00 -0.659261D+00 -0.202208D+01 -0.113210D+01
      2  -0.700165D+01 -0.220321D+01 -0.103603D+02 -0.604164D+01  0.164947D+01
      3   0.405250D+01  0.470812D+01 -0.657078D+00  0.175347D+02 -0.148086D+01
                 6             7             8             9            10 
      1   0.114400D+01 -0.467777D+00  0.858174D+01  0.104306D+01 -0.175709D+01
      2   0.114960D+01 -0.237460D+02  0.108716D+00 -0.161804D+01 -0.678382D+01
      3  -0.100989D+00  0.291418D+01 -0.190457D+01  0.759430D+00  0.624350D+01
                11            12            13            14            15 
      1   0.134511D+01  0.183204D+01  0.279547D+01 -0.244575D+01 -0.739868D+01
      2   0.264851D+01  0.129088D+02  0.226573D+01 -0.376374D+01 -0.399406D+01
      3  -0.142640D+02 -0.239492D+00  0.915374D+00  0.911798D+01  0.413617D+00
                16            17            18            19            20 
      1  -0.160008D+01  0.627103D+01 -0.106903D+01 -0.718115D+00 -0.127707D+01
      2  -0.160936D+01 -0.165775D+01 -0.412835D+01  0.139497D+02  0.929235D+00
      3   0.877805D-01  0.159827D+01  0.303697D+01 -0.119703D+02 -0.116983D+02
                21            22            23            24            25 
      1  -0.152525D+00 -0.189202D+01 -0.700987D+00 -0.986125D+01  0.199857D+01
      2   0.143960D+02  0.263799D+01  0.278984D+01  0.100778D+01 -0.878565D+01
      3  -0.736554D-01  0.829345D+01 -0.236335D+01  0.493306D-01 -0.121598D+01
                26            27            28            29            30 
      1   0.947182D+01 -0.640317D-01 -0.907326D+00  0.206442D+00 -0.104653D+01
      2  -0.391198D-01  0.318152D+01  0.582446D+00 -0.730859D+00  0.305897D+01
      3  -0.244197D+00 -0.197500D+01  0.209577D+01 -0.148926D+01  0.354572D+00
                31            32            33            34            35 
      1   0.421589D+00  0.280930D+01 -0.608352D+01 -0.244006D+00 -0.119023D+01
      2   0.129088D+01 -0.101111D+01  0.165295D+01  0.179836D+01  0.128721D+01
      3   0.855584D+01 -0.566101D+01  0.447048D+00 -0.359792D+01  0.164506D+01
                36            37            38            39            40 
      1   0.327000D+01 -0.610485D+00  0.410801D+00  0.262752D-01  0.564447D+00
      2  -0.132538D+01 -0.614087D+00 -0.133419D+00  0.223370D+01 -0.152971D+00
      3  -0.110509D+01  0.446420D+00 -0.227169D+01  0.105328D+00 -0.196026D+00
                41            42            43            44            45 
      1   0.959289D+00 -0.377493D-01 -0.554562D+00  0.188084D+01 -0.266968D+01
      2   0.335535D+00  0.183727D+00 -0.276064D+01  0.116867D+01  0.375770D+01
      3  -0.480489D+00 -0.676454D+00  0.181194D+01 -0.109456D+01 -0.716308D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.386312D+02  0.314775D+01  0.224031D-01  0.729028D+01  0.126450D+01
      2   0.227078D+02 -0.408435D+00  0.363585D+00 -0.311693D+01 -0.842519D+01
      3   0.159234D+02 -0.273931D+01 -0.385988D+00 -0.417335D+01  0.716069D+01
      4   0.256544D+01 -0.270242D+02 -0.115551D+01 -0.113317D+02  0.266895D+01
      5   0.847684D+00 -0.184183D+00 -0.222178D+02 -0.774845D+00  0.139277D+01
      6   0.210637D+01  0.400469D+00  0.147222D+01  0.386555D+00  0.146469D+01
                 6             7             8             9            10 
      1  -0.266352D+01  0.277541D+01 -0.285046D+00  0.105297D+02  0.633918D+02
      2   0.326830D+01  0.836096D+00  0.555513D+01  0.254380D+01 -0.314831D+02
      3  -0.604784D+00 -0.361150D+01 -0.527008D+01 -0.130735D+02 -0.319086D+02
      4   0.227625D+01 -0.299451D+01  0.378240D+01 -0.280115D+01 -0.223915D+02
      5   0.247389D+01  0.210534D+01 -0.200660D+01 -0.539066D+01 -0.346743D+01
      6  -0.527774D+01 -0.459361D+00 -0.582801D-01 -0.679113D+01 -0.318422D+00
                11            12            13            14            15 
      1  -0.112399D+02 -0.308401D+01 -0.111332D+02  0.265508D+00  0.628376D+00
      2   0.195518D+01  0.143812D+01 -0.156188D+01  0.168656D+02  0.234950D+00
      3   0.928468D+01  0.164589D+01  0.126951D+02 -0.171311D+02 -0.863326D+00
      4   0.306921D+02  0.145754D+01  0.371089D+02 -0.272739D+02 -0.293621D+01
      5   0.696464D+00  0.238377D+02  0.523227D+00 -0.163085D+01 -0.794757D+01
      6  -0.110779D+01 -0.407354D+01 -0.538977D+00  0.661368D+00  0.150282D+02
                16            17            18            19            20 
      1  -0.532633D+01  0.144900D+01 -0.867148D+00  0.625633D+02  0.421006D+01
      2   0.320696D+01  0.112221D+00 -0.118354D+02 -0.351062D+02 -0.183296D+01
      3   0.211937D+01 -0.156122D+01  0.127026D+02 -0.274571D+02 -0.237710D+01
      4   0.270402D+01 -0.467622D+01 -0.698645D+01  0.115662D+02  0.285675D+02
      5   0.288095D+02 -0.728381D+01 -0.537055D+01  0.199502D+01  0.147757D+00
      6  -0.612875D+01  0.143982D+02  0.805192D+00 -0.138873D+01  0.803461D+00
                21            22            23            24            25 
      1   0.296902D+01  0.548350D+01 -0.103295D+02  0.915816D+00  0.425439D+01
      2  -0.117813D+01 -0.201012D+01  0.220163D+02 -0.404458D+00 -0.256619D+01
      3  -0.179089D+01 -0.347338D+01 -0.116868D+02 -0.511358D+00 -0.168820D+01
      4   0.721493D+00  0.343151D+02  0.577765D+01  0.897397D+00  0.166180D+01
      5   0.293106D+02  0.106491D+00 -0.168653D+00  0.294429D+01  0.313867D+02
      6   0.111194D+01  0.249652D-02 -0.591575D+00  0.193131D+02  0.107717D+01
                26            27            28            29            30 
      1   0.121525D+01 -0.126983D+02  0.284402D+01  0.173065D+01 -0.619192D+00
      2  -0.344366D+00 -0.144747D+02  0.130298D+01  0.166534D+01  0.536782D+00
      3  -0.870884D+00  0.271731D+02 -0.414699D+01 -0.339598D+01  0.824106D-01
      4   0.176746D+01  0.166906D+01  0.622066D+01  0.129359D+02 -0.222141D+01
      5   0.889493D+00  0.199916D+01 -0.131468D+01 -0.170802D+01  0.513222D+01
      6   0.189750D+02 -0.814675D+00 -0.199912D+01 -0.296819D+00  0.114590D+01
                31            32            33            34            35 
      1   0.564159D+00 -0.195489D+02  0.369971D+01 -0.106158D+01  0.426428D+01
      2   0.377485D+01  0.343082D+02 -0.277206D+01  0.267116D+00 -0.610797D+01
      3  -0.433901D+01 -0.147592D+02 -0.927650D+00  0.794464D+00  0.184368D+01
      4   0.758332D+01  0.157432D+02 -0.188005D+01 -0.203564D+01 -0.393833D+01
      5  -0.841994D+00 -0.126783D+01  0.156737D+01  0.342431D+01  0.351202D+01
      6  -0.449076D+00 -0.449371D+01  0.828049D+01  0.207793D+01  0.993233D+01
                36            37            38            39            40 
      1  -0.648486D+01  0.344150D+01 -0.162667D+00  0.106547D+01 -0.104768D+01
      2   0.416091D+01 -0.422610D+01 -0.222083D+00 -0.133720D+01  0.600000D+00
      3   0.232394D+01  0.784597D+00  0.384750D+00  0.271734D+00  0.447682D+00
      4   0.423076D+01  0.303613D+00  0.485931D+01  0.221843D+01  0.253150D+01
      5  -0.184958D+01  0.220468D+01  0.206853D+01  0.841158D+01  0.987120D+00
      6  -0.446527D+01  0.159990D+01  0.200679D+00  0.343478D+00  0.864265D+00
                41            42            43            44            45 
      1  -0.500524D+01 -0.326075D+01 -0.818732D+00 -0.732385D+01 -0.201289D+02
      2   0.194249D+01  0.103401D+01 -0.192082D+01  0.104615D+00 -0.100441D+02
      3   0.306275D+01  0.222675D+01  0.273955D+01  0.721924D+01  0.301729D+02
      4   0.134851D+01  0.190788D+01  0.664327D+00  0.306468D+01  0.388777D+01
      5   0.167457D+01  0.962013D+00  0.448114D+01  0.315334D+01  0.108769D+02
      6   0.397979D+01  0.713019D+01  0.169745D+01  0.678332D+01  0.122864D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.482201D+00      0.122563D+01      0.408827D+01
   x          0.405292D-01      0.103015D+00      0.343620D+00
   y         -0.255286D-01     -0.648873D-01     -0.216441D+00
   z          0.479816D+00      0.121957D+01      0.406805D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.450002D+02      0.666834D+01      0.741953D+01
   aniso      0.232503D+02      0.344534D+01      0.383346D+01
   xx         0.598927D+02      0.887519D+01      0.987498D+01
   yx        -0.154520D+01     -0.228975D+00     -0.254769D+00
   yy         0.405019D+02      0.600177D+01      0.667787D+01
   zx         0.492724D+00      0.730141D-01      0.812392D-01
   zy         0.159046D+01      0.235682D+00      0.262232D+00
   zz         0.346058D+02      0.512806D+01      0.570573D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.549040D+02      0.813593D+01      0.905244D+01
   aniso      0.237159D+02      0.351433D+01      0.391022D+01
   xx         0.702071D+02      0.104036D+02      0.115756D+02
   yx        -0.173556D+01     -0.257183D+00     -0.286155D+00
   yy         0.500305D+02      0.741376D+01      0.824892D+01
   zx         0.265264D+00      0.393080D-01      0.437361D-01
   zy         0.102055D+01      0.151230D+00      0.168267D+00
   zz         0.444743D+02      0.659041D+01      0.733282D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.02926820          0.91556363          0.81941897
    17          3.46444051         -1.29696056          0.23334300
    35         -2.27724404         -0.35661271         -0.22680137
     9          1.52249819          3.08497396         -0.42000077
     1          0.92996966          1.27162130          2.83470941

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.482201D+00      0.122563D+01      0.408827D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.482201D+00      0.122563D+01      0.408827D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.450002D+02      0.666834D+01      0.741953D+01
   aniso      0.232503D+02      0.344534D+01      0.383346D+01
   xx         0.596240D+02      0.883536D+01      0.983067D+01
   yx        -0.157564D+01     -0.233486D+00     -0.259788D+00
   yy         0.406469D+02      0.602325D+01      0.670177D+01
   zx         0.269406D+01      0.399218D+00      0.444190D+00
   zy         0.114272D+01      0.169333D+00      0.188409D+00
   zz         0.347296D+02      0.514640D+01      0.572614D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.549040D+02      0.813593D+01      0.905244D+01
   aniso      0.237159D+02      0.351433D+01      0.391022D+01
   xx         0.699726D+02      0.103689D+02      0.115369D+02
   yx        -0.172902D+01     -0.256214D+00     -0.285077D+00
   yy         0.501153D+02      0.742632D+01      0.826290D+01
   zx         0.251372D+01      0.372495D+00      0.414456D+00
   zy         0.578601D+00      0.857398D-01      0.953984D-01
   zz         0.446239D+02      0.661258D+01      0.735749D+01

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U22-04\Freq\RB3LYP\Gen\C1H1Br1Cl1F1\PIERPA\22-Jul-2021\0\
 \#P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(No
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 5,-0.0574278,0.0028873,-0.0060055,0.0076791\Polar=59.8927256,-1.545199
 2,40.5019425,0.4927238,1.5904619,34.6058326\Quadrupole=0.0821543,-1.09
 4271,1.0121168,-0.0416591,0.7882807,1.0473931\PG=C01 [X(C1H1Br1Cl1F1)]
 \NImag=0\\0.24331595,0.00944894,0.34524574,-0.00750868,-0.01356285,0.5
 6476176,-0.07597425,0.03927770,0.03641947,0.11529036,0.03178796,-0.058
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 30,0.01169043,-0.01411256,0.00851170,0.03151678,0.34632812\\-0.0000003
 8,-0.00000760,-0.00000838,0.00000525,0.00000216,0.00000488,-0.00000636
 ,0.00000173,-0.00000141,0.00000130,0.00000229,0.00000389,0.00000019,0.
 00000142,0.00000101\\\@


 IF YOU WISH TO UNDERSTAND THE FRAGRANCE OF THE ROSE, 
 OR THE TENACITY OF THE OAK; 
 IF YOU ARE NOT SATISFIED UNTIL YOU KNOW THE SECRET PATHS 
 BY WHICH THE SUNSHINE AND THE AIR ACHIEVE THESE WONDERS; 
 IF YOU WISH TO SEE THE PATTERN WHICH UNDERLIES ONE LARGE FIELD OF 
 HUMAN EXPERIENCE AND HUMAN MEASUREMENT, THEN TAKE UP CHEMISTRY.

                                         -- C. A. COULSON, 1973.
 Job cpu time:       0 days  0 hours 15 minutes 33.0 seconds.
 Elapsed time:       0 days  0 hours  1 minutes 59.2 seconds.
 File lengths (MBytes):  RWF=    122 Int=      0 D2E=      0 Chk=      4 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul 22 18:05:49 2021.
